5,8-bis(chloranyl)-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate

Systemtic Name: 5,8-bis(chloranyl)-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate Openeye Name: 5,8-dichloro-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate CAS Name: 5,8-dichloro-2-[4-(methylthio)phenyl]-4-quinolinecarboxylate IUPAC Name: 5,8-dichloro-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate Traditional Name: 5,8-dichloro-2-[4-(methylthio)phenyl]cinchoninate Formula: C17H10Cl2NO2S- MolecularWeight: 363.2378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11Cl2NO2S/c1-23-10-4-2-9(3-5-10)14-8-11(17(21)22)15-12(18)6-7-13(19)16(15)20-14/h2-8H,1H3,(H,21,22)/p-1