2-(4-chlorophenyl)-7-methylsulfanyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-chlorophenyl)-7-methylsulfanyl-quinoline-4-carboxylate Openeye Name: 2-(4-chlorophenyl)-7-methylsulfanyl-quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-7-(methylthio)-4-quinolinecarboxylate IUPAC Name: 2-(4-chlorophenyl)-7-methylsulfanylquinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-7-(methylthio)cinchoninate Formula: C17H11ClNO2S- MolecularWeight: 328.79274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C17H12ClNO2S/c1-22-12-6-7-13-14(17(20)21)9-15(19-16(13)8-12)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,20,21)/p-1