6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[[2-keto-2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]thio]nicotinic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(CCC2)C(=O)CSC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1N(CCC2)C(=O)CSC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H18N2O3S/c1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-24-15-8-7-14(10-19-15)18(22)23/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,22,23)