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

Systemtic Name: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-(4-methoxyanilino)-2-oxo-ethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid [2-(4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyanilino)-2-oxoethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]acetic acid [2-keto-2-(p-anisidino)ethyl] ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S/c1-31-20-13-11-19(12-14-20)26-23(29)16-32-24(30)17-33-25-27-21-9-5-6-10-22(21)28(25)15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,29)