[1-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]propyl 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-1-oxobutan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid 1-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)carbamoyl]propyl ester Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H26N4O5S/c1-5-22(25(33)32-26-19(14-29)16(4)23(38-26)28(35)36-6-2)37-27(34)18-11-12-20-21(13-18)31-24(30-20)17-9-7-15(3)8-10-17/h7-13,22H,5-6H2,1-4H3,(H,30,31)(H,32,33)