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

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-benzamido-3-phenyl-propanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O4S/c1-32-21-14-12-20(13-15-21)26-23(28)17-31-24(29)16-22(18-8-4-2-5-9-18)27-25(30)19-10-6-3-7-11-19/h2-15,22H,16-17H2,1H3,(H,26,28)(H,27,30)