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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2-methylsulfonylbenzimidazol-1-yl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2-methylsulfonylbenzimidazol-1-yl)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(2-methylsulfonyl-1-benzimidazolyl)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-methylsulfonylbenzimidazol-1-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2-mesylbenzimidazol-1-yl)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C3=CC=CC=C3N=C2S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C3=CC=CC=C3N=C2S(=O)(=O)C

InChI

InChI=1S/C17H16N4O4S2/c1-3-25-16(22)14-11(10(8-18)15(19)26-14)9-21-13-7-5-4-6-12(13)20-17(21)27(2,23)24/h4-7H,3,9,19H2,1-2H3