[2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(1-benzyl-2-oxo-propyl)amino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[(1-benzyl-2-keto-propyl)amino]-2-keto-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C21H23NO4S/c1-16(23)19(14-17-8-4-2-5-9-17)22-20(24)15-26-21(25)12-13-27-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,24)