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

Systemtic Name: 1-[2-(2-fluorophenyl)sulfanylethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(2-fluorophenyl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-[(2-fluorophenyl)thio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(2-fluorophenyl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-[(2-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=CC=C3F)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)CSC3=CC=CC=C3F)C(=O)O

InChI

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