1-[2-(4-fluorophenyl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-(4-fluorophenyl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(4-fluorophenyl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-[(4-fluorophenyl)thio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(4-fluorophenyl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-[(4-fluorophenyl)thio]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C18H16FNO3S MolecularWeight: 345.387943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)CSC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)CSC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C18H16FNO3S/c19-12-6-8-13(9-7-12)24-11-17(21)20-10-2-4-14-15(18(22)23)3-1-5-16(14)20/h1,3,5-9H,2,4,10-11H2,(H,22,23)