ethyl 5-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-(1H-benzimidazol-2-ylthio)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC3=CC=CC=C3N2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=NC3=CC=CC=C3N2)C#N)C

InChI

InChI=1S/C19H18N4O3S2/c1-4-26-18(25)15-10(2)12(9-20)17(28-15)23-16(24)11(3)27-19-21-13-7-5-6-8-14(13)22-19/h5-8,11H,4H2,1-3H3,(H,21,22)(H,23,24)