(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)NC(=O)CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)NC(=O)CC4)OC1

InChI

InChI=1S/C18H17NO6S/c20-18-7-2-12-10-13(3-5-15(12)19-18)25-26(21,22)14-4-6-16-17(11-14)24-9-1-8-23-16/h3-6,10-11H,1-2,7-9H2,(H,19,20)