[2-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl] 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid [2-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C26H22N4O5S MolecularWeight: 502.54168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C)C#N)C

InChI

InChI=1S/C26H22N4O5S/c1-4-34-26(33)22-15(3)18(12-27)24(36-22)30-21(31)13-35-25(32)17-9-10-19-20(11-17)29-23(28-19)16-7-5-14(2)6-8-16/h5-11H,4,13H2,1-3H3,(H,28,29)(H,30,31)