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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 2-benzamido-3-benzylsulfanyl-propanoate CAS Name: 2-benzamido-3-(phenylmethylthio)propanoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 2-benzamido-3-benzylsulfanylpropanoate Traditional Name: 2-benzamido-3-(benzylthio)propionic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO5S/c1-31-22-14-12-20(13-15-22)24(28)16-32-26(30)23(18-33-17-19-8-4-2-5-9-19)27-25(29)21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(H,27,29)