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

Systemtic Name: 1-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C24H20ClNO3S MolecularWeight: 437.9385

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C24H20ClNO3S/c25-18-10-12-19(13-11-18)30-15-16-6-8-17(9-7-16)23(27)26-14-2-4-20-21(24(28)29)3-1-5-22(20)26/h1,3,5-13H,2,4,14-15H2,(H,28,29)