2-(4-methylsulfanylphenyl)quinoline-4-carboxylate

Systemtic Name: 2-(4-methylsulfanylphenyl)quinoline-4-carboxylate Openeye Name: 2-(4-methylsulfanylphenyl)quinoline-4-carboxylate CAS Name: 2-[4-(methylthio)phenyl]-4-quinolinecarboxylate IUPAC Name: 2-(4-methylsulfanylphenyl)quinoline-4-carboxylate Traditional Name: 2-[4-(methylthio)phenyl]cinchoninate Formula: C17H12NO2S- MolecularWeight: 294.34768

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C17H13NO2S/c1-21-12-8-6-11(7-9-12)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)/p-1