[2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-[[(1R)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-[[(1R)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)N[C@H](CC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C22H23NO5S/c1-15(24)14-29-20-11-7-6-10-18(20)22(27)28-13-21(26)23-19(16(2)25)12-17-8-4-3-5-9-17/h3-11,19H,12-14H2,1-2H3,(H,23,26)/t19-/m1/s1