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

Systemtic Name: 1-(2-methoxy-4-methylsulfanyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(2-methoxy-4-methylsulfanyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(2-methoxy-4-methylsulfanylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-methoxy-4-(methylthio)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

InChI

InChI=1S/C19H19NO4S/c1-24-17-11-12(25-2)8-9-15(17)18(21)20-10-4-6-13-14(19(22)23)5-3-7-16(13)20/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,22,23)