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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

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