ethyl 6-fluoranyl-2-hexylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-2-hexylsulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-2-hexylsulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-fluoro-2-(hexylthio)-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-2-hexylsulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-fluoro-2-(hexylthio)-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C18H22FNO3S MolecularWeight: 351.435583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(=O)C2=C(N1)C=CC(=C2)F)C(=O)OCC

Isomeric SMILES

CCCCCCSC1=C(C(=O)C2=C(N1)C=CC(=C2)F)C(=O)OCC

InChI

InChI=1S/C18H22FNO3S/c1-3-5-6-7-10-24-17-15(18(22)23-4-2)16(21)13-11-12(19)8-9-14(13)20-17/h8-9,11H,3-7,10H2,1-2H3,(H,20,21)