3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-(ethylthio)-2-phenyl-4-quinolinecarboxylate IUPAC Name: 3-ethylsulfanyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-(ethylthio)-2-phenyl-cinchoninate Formula: C18H14NO2S- MolecularWeight: 308.37426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO2S/c1-2-22-17-15(18(20)21)13-10-6-7-11-14(13)19-16(17)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,20,21)/p-1