2-[4-[2-(4-methylphenyl)sulfanylethanoylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-(4-methylphenyl)sulfanylethanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-(p-tolylsulfanyl)acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-(p-tolylthio)acetyl]amino]phenyl]cinchoninic acid Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C25H20N2O3S/c1-16-6-12-19(13-7-16)31-15-24(28)26-18-10-8-17(9-11-18)23-14-21(25(29)30)20-4-2-3-5-22(20)27-23/h2-14H,15H2,1H3,(H,26,28)(H,29,30)