[1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: [2-[(3-methoxycarbonyl-4,5-dihydrobenzo[g]benzothiophen-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-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxopropan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [2-[(3-carbomethoxy-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C31H25N3O5S MolecularWeight: 551.6123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)OC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)OC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6

InChI

InChI=1S/C31H25N3O5S/c1-17(39-30(36)20-13-15-23-24(16-20)33-27(32-23)19-9-4-3-5-10-19)28(35)34-29-25(31(37)38-2)22-14-12-18-8-6-7-11-21(18)26(22)40-29/h3-11,13,15-17H,12,14H2,1-2H3,(H,32,33)(H,34,35)