[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2)C(=O)OCC(=O)C4=CC=CN4

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2)C(=O)OCC(=O)C4=CC=CN4

InChI

InChI=1S/C21H17N3O3S/c25-19(18-10-5-11-22-18)12-27-20(26)15-7-2-1-6-14(15)13-28-21-23-16-8-3-4-9-17(16)24-21/h1-11,22H,12-13H2,(H,23,24)