2-[2-(4-methylsulfanylphenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[2-(4-methylsulfanylphenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[2-(4-methylsulfanylphenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[2-[4-(methylthio)phenyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[2-(4-methylsulfanylphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[2-[4-(methylthio)phenyl]vinyl]cinchoninic acid Formula: C19H15NO2S MolecularWeight: 321.3929

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C19H15NO2S/c1-23-15-10-7-13(8-11-15)6-9-14-12-17(19(21)22)16-4-2-3-5-18(16)20-14/h2-12H,1H3,(H,21,22)