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

Systemtic Name: [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid 1-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O5S/c1-3-21(25(32)31-26-23(28(34)35-2)18-11-7-8-12-22(18)37-26)36-27(33)17-13-14-19-20(15-17)30-24(29-19)16-9-5-4-6-10-16/h4-6,9-10,13-15,21H,3,7-8,11-12H2,1-2H3,(H,29,30)(H,31,32)