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

Systemtic Name: 6-chloranyl-3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 6-chloro-3-ethylsulfanyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-chloro-3-(ethylthio)-2-phenyl-4-quinolinecarboxylate IUPAC Name: 6-chloro-3-ethylsulfanyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-chloro-3-(ethylthio)-2-phenyl-cinchoninate Formula: C18H13ClNO2S- MolecularWeight: 342.81932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CCSC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H14ClNO2S/c1-2-23-17-15(18(21)22)13-10-12(19)8-9-14(13)20-16(17)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,21,22)/p-1