Methyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)-carbonyl]-4-methylthiophene-3-carboxylate

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Basic information

CAS: 546090-59-9
Standard SMILES: COC(=O)c1c(NC(=O)CC#N)sc(C(=O)N(C)C)c1C
InChIKey: UBAQWQYIGCRMGF-UHFFFAOYSA-N
Molecular formula: C13H15N3O4S
Average molar mass: 309.34 g/mol
Monoisotopic mass: 309.07832714

Names & identifiers

Preferred name: Methyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)-carbonyl]-4-methylthiophene-3-carboxylate
IUPAC: methyl 2-[(2-cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

Names & synonyms

546090-59-9METHYL 2-[(CYANOACETYL)AMINO]-5-[(DIMETHYLAMINO)-CARBONYL]-4-METHYLTHIOPHENE-3-CARBOXYLATEmethyl 2-(2-cyanoacetamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylatemethyl 2-[(cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methylthiophene-3-carboxylateMFCD03394772methyl 2-[(2-cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylatemethyl 2-[(cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylateOprea1_049994DTXSID901121115ALBB-008519BBL016780STK434484

Show more names

AKOS003276450Methyl 2-[(2-cyanoacetyl)amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylateVS-05562ST50939788H24776Methyl 2-[(2-cyanoacetyl)amino]-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylatemethyl 5-(N,N-dimethylcarbamoyl)-2-(2-cyanoacetylamino)-4-methylthiophene-3-ca rboxylatemethyl2-(2-cyanoacetamido)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate

Database identifiers

CAS: 546090-59-9
PubChem CID: 3535538
DTXSID: DTXSID901121115

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 128 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 485

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