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

Systemtic Name: ethyl 2-hexylsulfanyl-6-methoxy-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-hexylsulfanyl-6-methoxy-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-(hexylthio)-6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-hexylsulfanyl-6-methoxy-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-(hexylthio)-4-keto-6-methoxy-1H-quinoline-3-carboxylic acid ethyl ester Formula: C19H25NO4S MolecularWeight: 363.4711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO4S/c1-4-6-7-8-11-25-18-16(19(22)24-5-2)17(21)14-12-13(23-3)9-10-15(14)20-18/h9-10,12H,4-8,11H2,1-3H3,(H,20,21)