(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 5-bromanyl-2-ethoxy-benzenesulfonate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 5-bromanyl-2-ethoxy-benzenesulfonate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 5-bromo-2-ethoxy-benzenesulfonate CAS Name: 5-bromo-2-ethoxybenzenesulfonic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 5-bromo-2-ethoxybenzenesulfonate Traditional Name: 5-bromo-2-ethoxy-benzenesulfonic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C17H16BrNO5S MolecularWeight: 426.28164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C17H16BrNO5S/c1-2-23-15-7-4-12(18)10-16(15)25(21,22)24-13-5-6-14-11(9-13)3-8-17(20)19-14/h4-7,9-10H,2-3,8H2,1H3,(H,19,20)