[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C16H21NO3S2 MolecularWeight: 339.47284

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C16H21NO3S2/c1-3-8-17-14(18)11(2)20-15(19)12-4-6-13(7-5-12)16-21-9-10-22-16/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18)/t11-/m0/s1