ethyl 4-cyano-3-methyl-5-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[2-[(1-methylimidazol-2-yl)thio]propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC=CN2C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC=CN2C)C#N)C

InChI

InChI=1S/C16H18N4O3S2/c1-5-23-15(22)12-9(2)11(8-17)14(25-12)19-13(21)10(3)24-16-18-6-7-20(16)4/h6-7,10H,5H2,1-4H3,(H,19,21)