6,8-bis(bromanyl)-3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 6,8-bis(bromanyl)-3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 6,8-dibromo-3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6,8-dibromo-3-(ethylthio)-2-phenyl-4-quinolinecarboxylate IUPAC Name: 6,8-dibromo-3-ethylsulfanyl-2-phenylquinoline-4-carboxylate Traditional Name: 6,8-dibromo-3-(ethylthio)-2-phenyl-cinchoninate Formula: C18H12Br2NO2S- MolecularWeight: 466.16638

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C2=CC(=CC(=C2N=C1C3=CC=CC=C3)Br)Br)C(=O)[O-]

Isomeric SMILES

CCSC1=C(C2=CC(=CC(=C2N=C1C3=CC=CC=C3)Br)Br)C(=O)[O-]

InChI

InChI=1S/C18H13Br2NO2S/c1-2-24-17-14(18(22)23)12-8-11(19)9-13(20)16(12)21-15(17)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,22,23)/p-1