[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: [2-(4-methoxyanilino)-2-oxo-ethyl] (2R)-2-benzamido-3-benzylsulfanyl-propanoate CAS Name: (2R)-2-benzamido-3-(phenylmethylthio)propanoic acid [2-(4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyanilino)-2-oxoethyl] (2R)-2-benzamido-3-benzylsulfanylpropanoate Traditional Name: (2R)-2-benzamido-3-(benzylthio)propionic acid [2-keto-2-(p-anisidino)ethyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)COC(=O)C(CSCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](CSCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O5S/c1-32-22-14-12-21(13-15-22)27-24(29)16-33-26(31)23(18-34-17-19-8-4-2-5-9-19)28-25(30)20-10-6-3-7-11-20/h2-15,23H,16-18H2,1H3,(H,27,29)(H,28,30)/t23-/m0/s1