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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H24N2O3S MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-5-10-21-18(23)15(4)25-20(24)17-7-6-11-22-19(17)26-16-9-8-13(2)14(3)12-16/h6-9,11-12,15H,5,10H2,1-4H3,(H,21,23)/t15-/m0/s1