[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)C1=CC=C(C=C1)SC)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)C1=CC=C(C=C1)SC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H23NO5S/c1-14(23)22-19(15-4-8-17(26-2)9-5-15)12-21(25)27-13-20(24)16-6-10-18(28-3)11-7-16/h4-11,19H,12-13H2,1-3H3,(H,22,23)