[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC(=C(C=C2)C)C

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC(=C(C=C2)C)C

InChI

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