[2-oxidanylidene-2-(propylamino)ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2,5-dimethylphenyl)thio]nicotinic acid [2-keto-2-(propylamino)ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-4-9-20-17(22)12-24-19(23)15-6-5-10-21-18(15)25-16-11-13(2)7-8-14(16)3/h5-8,10-11H,4,9,12H2,1-3H3,(H,20,22)