7-methylsulfanyl-2-pyridin-3-yl-quinoline-4-carboxylic acid

Systemtic Name: 7-methylsulfanyl-2-pyridin-3-yl-quinoline-4-carboxylic acid Openeye Name: 7-methylsulfanyl-2-(3-pyridyl)quinoline-4-carboxylic acid CAS Name: 7-(methylthio)-2-(3-pyridinyl)-4-quinolinecarboxylic acid IUPAC Name: 7-methylsulfanyl-2-pyridin-3-ylquinoline-4-carboxylic acid Traditional Name: 7-(methylthio)-2-(3-pyridyl)cinchoninic acid Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

CSC1=CC2=C(C=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C16H12N2O2S/c1-21-11-4-5-12-13(16(19)20)8-14(18-15(12)7-11)10-3-2-6-17-9-10/h2-9H,1H3,(H,19,20)