[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 3-phenylbutanoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-14(16-7-5-4-6-8-16)11-21(25)26-13-19(24)17-9-10-20(27-3)18(12-17)22-15(2)23/h4-10,12,14H,11,13H2,1-3H3,(H,22,23)