6-methoxy-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-methoxy-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-methoxy-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 6-methoxy-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-methoxy-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-methoxy-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H15NO3S/c1-22-12-5-8-16-14(9-12)15(18(20)21)10-17(19-16)11-3-6-13(23-2)7-4-11/h3-10H,1-2H3,(H,20,21)