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

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S2/c1-9(12(18)17-15(20)16-2)21-13(19)10-3-5-11(6-4-10)14-22-7-8-23-14/h3-6,9,14H,7-8H2,1-2H3,(H2,16,17,18,20)/t9-/m1/s1