[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]acetic acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S/c1-18(30)20-11-13-21(14-12-20)27-24(31)16-33-25(32)17-34-26-28-22-9-5-6-10-23(22)29(26)15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,27,31)