2-(4-chlorophenyl)-3-(4-methoxyphenyl)sulfanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)sulfanyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)sulfanyl-quinoline-4-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-[(4-methoxyphenyl)thio]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-(4-methoxyphenyl)sulfanylquinoline-4-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-3-[(4-methoxyphenyl)thio]cinchoninic acid Formula: C23H16ClNO3S MolecularWeight: 421.89604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H16ClNO3S/c1-28-16-10-12-17(13-11-16)29-22-20(23(26)27)18-4-2-3-5-19(18)25-21(22)14-6-8-15(24)9-7-14/h2-13H,1H3,(H,26,27)