[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC(=O)OCC(=O)C4=CC=CN4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCC(=O)OCC(=O)C4=CC=CN4

InChI

InChI=1S/C22H18ClN3O3S/c23-16-8-9-19-18(11-16)25-22(26(19)12-15-5-2-1-3-6-15)30-14-21(28)29-13-20(27)17-7-4-10-24-17/h1-11,24H,12-14H2