1-(2-phenylsulfanylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(2-phenylsulfanylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(2-phenylsulfanylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[1-oxo-2-(phenylthio)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(2-phenylsulfanylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-(phenylthio)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=C(C=CC=C21)C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCC2=C(C=CC=C21)C(=O)O)SC3=CC=CC=C3

InChI

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