[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-pyridinecarboxylic acid [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]nicotinic acid [(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)OC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)N(C)C)OC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O3S/c1-11(16(21)20(2)3)23-17(22)14-5-4-10-19-15(14)24-13-8-6-12(18)7-9-13/h4-11H,1-3H3/t11-/m1/s1