[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H21NO4S MolecularWeight: 323.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=CC=C1SCC(=O)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1SCC(=O)C

InChI

InChI=1S/C16H21NO4S/c1-4-9-17-15(19)12(3)21-16(20)13-7-5-6-8-14(13)22-10-11(2)18/h5-8,12H,4,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1