1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(2-chloro-5-methylsulfanyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(2-chloro-5-methylsulfanylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-chloro-5-(methylthio)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C18H16ClNO3S MolecularWeight: 361.84254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

InChI

InChI=1S/C18H16ClNO3S/c1-24-11-7-8-15(19)14(10-11)17(21)20-9-3-5-12-13(18(22)23)4-2-6-16(12)20/h2,4,6-8,10H,3,5,9H2,1H3,(H,22,23)