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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[3-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[3-[(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)CCSC2=NC=CN2C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC=CN2C)C#N)C

InChI

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