(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-propylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-propylbenzenesulfonate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-propylbenzenesulfonate CAS Name: 4-propylbenzenesulfonic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-propylbenzenesulfonate Traditional Name: 4-propylbenzenesulfonic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C18H19NO4S/c1-2-3-13-4-8-16(9-5-13)24(21,22)23-15-7-10-17-14(12-15)6-11-18(20)19-17/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,19,20)