(3-ethyl-2-oxidanylidene-1H-quinolin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-ethyl-2-oxidanylidene-1H-quinolin-4-yl) 4-methylbenzenesulfonate Openeye Name: (3-ethyl-2-oxo-1H-quinolin-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-ethyl-2-oxo-1H-quinolin-4-yl) ester IUPAC Name: (3-ethyl-2-oxo-1H-quinolin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-ethyl-2-keto-1H-quinolin-4-yl) ester Formula: C18H17NO4S MolecularWeight: 343.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2NC1=O)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=C(C2=CC=CC=C2NC1=O)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H17NO4S/c1-3-14-17(15-6-4-5-7-16(15)19-18(14)20)23-24(21,22)13-10-8-12(2)9-11-13/h4-11H,3H2,1-2H3,(H,19,20)