1-(2-methyl-4-oxidanylidene-4-pyridin-3-yl-2-sulfanyl-butanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid

Systemtic Name: 1-(2-methyl-4-oxidanylidene-4-pyridin-3-yl-2-sulfanyl-butanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Openeye Name: 1-[2-methyl-4-oxo-4-(3-pyridyl)-2-sulfanyl-butanoyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid CAS Name: 1-[2-mercapto-2-methyl-1,4-dioxo-4-(3-pyridinyl)butyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid IUPAC Name: 1-(2-methyl-4-oxo-4-pyridin-3-yl-2-sulfanylbutanoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid Traditional Name: 1-[4-keto-2-mercapto-2-methyl-4-(3-pyridyl)butanoyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CN=CC=C1)(C(=O)N2C(CCC3=CC=CC=C32)C(=O)O)S

Isomeric SMILES

CC(CC(=O)C1=CN=CC=C1)(C(=O)N2C(CCC3=CC=CC=C32)C(=O)O)S

InChI

InChI=1S/C20H20N2O4S/c1-20(27,11-17(23)14-6-4-10-21-12-14)19(26)22-15-7-3-2-5-13(15)8-9-16(22)18(24)25/h2-7,10,12,16,27H,8-9,11H2,1H3,(H,24,25)