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

Systemtic Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-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-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)carbamoyl]propyl ester Formula: C27H24N4O5S MolecularWeight: 516.56826

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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=CC=C4

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=CC=C4

InChI

InChI=1S/C27H24N4O5S/c1-4-21(24(32)31-25-18(14-28)15(3)22(37-25)27(34)35-5-2)36-26(33)17-11-12-19-20(13-17)30-23(29-19)16-9-7-6-8-10-16/h6-13,21H,4-5H2,1-3H3,(H,29,30)(H,31,32)