ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate

Systemtic Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[2-(1H-benzimidazol-2-ylthio)propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid ethyl ester Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C(C)SC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C(C)SC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H23N3O3S2/c1-3-31-24(30)20-17-13-12-15-8-4-5-9-16(15)21(17)33-23(20)28-22(29)14(2)32-25-26-18-10-6-7-11-19(18)27-25/h4-11,14H,3,12-13H2,1-2H3,(H,26,27)(H,28,29)