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

Systemtic Name: [(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid [(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OC(C)C(=O)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)O[C@H](C)C(=O)N(C)C)C

InChI

InChI=1S/C19H22N2O3S/c1-12-8-9-15(11-13(12)2)25-17-16(7-6-10-20-17)19(23)24-14(3)18(22)21(4)5/h6-11,14H,1-5H3/t14-/m1/s1