| CAS Number | 1118787-39-5 |
| Catalog Number | AG019UD8 |
| Chemical Name | 4-tert-butyl 2-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate |
| IUPAC Name | 4-O-tert-butyl 2-O-ethyl 5-[(2-chloroacetyl)amino]-3-methylthiophene-2,4-dicarboxylate |
| InChI | InChI=1S/C15H20ClNO5S/c1-6-21-14(20)11-8(2)10(13(19)22-15(3,4)5)12(23-11)17-9(18)7-16/h6-7H2,1-5H3,(H,17,18) |
| InChI Key | NPPZNSLYLFYOAE-UHFFFAOYSA-N |
| MDL Number | MFCD11839804 |
| Molecular Formula | C15H20ClNO5S |
| Molecular Weight | 361.8410 |
| SMILES | CCOC(C1=C(C)C(C(OC(C)(C)C)=O)=C(NC(CCl)=O)S1)=O |
| Synonyms | 4-tert-butyl 2-ethyl 5-(2-chloroacetamido)-3-methylthiophene-2,4-dicarboxylate,
1118787-39-5,
AC1Q328S,
CTK6F7906,
ZINC32628047,
AKOS030744513,
MCULE-5759578477,
NE25828,
EN300-41300,
|
| Complexity | 465 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.837g/mol |
| Monoisotopic Mass | 361.075g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number