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

Systemtic Name: 6-ethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 6-ethyl-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-ethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C19H17NO2S/c1-3-12-4-9-17-15(10-12)16(19(21)22)11-18(20-17)13-5-7-14(23-2)8-6-13/h4-11H,3H2,1-2H3,(H,21,22)