ethyl 5-azanyl-4-cyano-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(N2)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(N2)C=C(C=C3)C

InChI

InChI=1S/C17H16N4O2S2/c1-3-23-16(22)14-11(10(7-18)15(19)25-14)8-24-17-20-12-5-4-9(2)6-13(12)21-17/h4-6H,3,8,19H2,1-2H3,(H,20,21)