[2-[[(1S)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[[(1S)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-[[(1S)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-[[(1S)-3-methyl-1-phenyl-butyl]amino]ethyl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C23H27NO4S/c1-16(2)13-20(18-9-5-4-6-10-18)24-22(26)14-28-23(27)19-11-7-8-12-21(19)29-15-17(3)25/h4-12,16,20H,13-15H2,1-3H3,(H,24,26)/t20-/m0/s1