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

Systemtic Name: [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-[(3-methoxycarbonyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-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-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-[(3-carbomethoxy-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C30H24N4O5S MolecularWeight: 552.60036

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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=CN=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=CN=CC=C6

InChI

InChI=1S/C30H24N4O5S/c1-16(39-29(36)18-10-12-22-23(14-18)33-26(32-22)19-7-5-13-31-15-19)27(35)34-28-24(30(37)38-2)21-11-9-17-6-3-4-8-20(17)25(21)40-28/h3-8,10,12-16H,9,11H2,1-2H3,(H,32,33)(H,34,35)