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

Systemtic Name: 6-bromanyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-[4-(methylthio)phenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-[4-(methylthio)phenyl]cinchoninate Formula: C17H11BrNO2S- MolecularWeight: 373.24374

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C17H12BrNO2S/c1-22-12-5-2-10(3-6-12)16-9-14(17(20)21)13-8-11(18)4-7-15(13)19-16/h2-9H,1H3,(H,20,21)/p-1