[1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3S/c1-15-8-10-19-20(14-28)26(35-23(19)12-15)31-25(32)16(2)34-27(33)18-9-11-21-22(13-18)30-24(29-21)17-6-4-3-5-7-17/h3-7,9,11,13,15-16H,8,10,12H2,1-2H3,(H,29,30)(H,31,32)