[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H23NO4S/c1-31-21-14-12-19(13-15-21)23(27)17-30-24(28)16-22(18-8-4-2-5-9-18)26-25(29)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,29)