| CAS Number | 327105-83-9 |
| Catalog Number | AG01B9JK |
| Chemical Name | 3-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl}prop-2-enoic acid |
| IUPAC Name | (E)-4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid |
| InChI | InChI=1S/C11H12N2O5S/c1-2-18-10(17)5-7-6-19-11(12-7)13-8(14)3-4-9(15)16/h3-4,6H,2,5H2,1H3,(H,15,16)(H,12,13,14)/b4-3+ |
| InChI Key | LAVXKCFWJZRZBO-ONEGZZNKSA-N |
| MDL Number | MFCD06059918 |
| Molecular Formula | C11H12N2O5S |
| Molecular Weight | 284.2884 |
| SMILES | CCOC(CC1N=C(NC(C=CC(O)=O)=O)SC=1)=O |
| Synonyms | 3-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl}prop-2-enoic acid,
327105-83-9,
ZINC3196255,
AKOS002682298,
EN300-205216,
SR-01000029457,
SR-01000029457-1,
AC1M5799,
CID2323322,
3-[[4-(ethoxycarbonylmethyl)-1,3-thiazol-2-yl]carbamoyl]prop-2-enoic Acid,
(E)-4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 284.046693g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.29g/mol |
| Monoisotopic Mass | 284.046693g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 134Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number