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

Systemtic Name: [1-(methylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [1-methyl-2-(methylamino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylamino)-1-oxopropan-2-yl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3S2/c1-9(12(16)15-2)18-13(17)10-3-5-11(6-4-10)14-19-7-8-20-14/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)