[(2R)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S2/c1-10(2)17-14(18)11(3)20-15(19)12-4-6-13(7-5-12)16-21-8-9-22-16/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)/t11-/m1/s1