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

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [(1R)-2-(allylamino)-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-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19NO3S2 MolecularWeight: 337.45696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3S2/c1-3-8-17-14(18)11(2)20-15(19)12-4-6-13(7-5-12)16-21-9-10-22-16/h3-7,11,16H,1,8-10H2,2H3,(H,17,18)/t11-/m1/s1