1-[4-(methylsulfanylmethyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[4-(methylsulfanylmethyl)phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[4-(methylsulfanylmethyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[4-[(methylthio)methyl]phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-(methylsulfanylmethyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-[(methylthio)methyl]benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O

InChI

InChI=1S/C19H19NO3S/c1-24-12-13-7-9-14(10-8-13)18(21)20-11-3-5-15-16(19(22)23)4-2-6-17(15)20/h2,4,6-10H,3,5,11-12H2,1H3,(H,22,23)