[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO5S/c1-26-17-10-8-15(9-11-17)19(23)14-27-21(25)18(12-13-28-2)22-20(24)16-6-4-3-5-7-16/h3-11,18H,12-14H2,1-2H3,(H,22,24)