3-[2-(2-acetyloxyphenyl)carbonyloxyethyl-methyl-sulfonio]-4-oxidanylidene-1H-quinolin-2-olate

Systemtic Name: 3-[2-(2-acetyloxyphenyl)carbonyloxyethyl-methyl-sulfonio]-4-oxidanylidene-1H-quinolin-2-olate Openeye Name: 3-[2-(2-acetoxybenzoyl)oxyethyl-methyl-sulfonio]-4-oxo-1H-quinolin-2-olate CAS Name: 3-[2-[(2-acetyloxyphenyl)-oxomethoxy]ethyl-methylsulfonio]-4-oxo-1H-quinolin-2-olate IUPAC Name: 3-[2-(2-acetyloxybenzoyl)oxyethyl-methylsulfonio]-4-oxo-1H-quinolin-2-olate Traditional Name: 3-[2-(2-acetoxybenzoyl)oxyethyl-methyl-sulfonio]-4-keto-1H-quinolin-2-olate Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCC[S+](C)C2=C(NC3=CC=CC=C3C2=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCC[S+](C)C2=C(NC3=CC=CC=C3C2=O)[O-]

InChI

InChI=1S/C21H19NO6S/c1-13(23)28-17-10-6-4-8-15(17)21(26)27-11-12-29(2)19-18(24)14-7-3-5-9-16(14)22-20(19)25/h3-10H,11-12H2,1-2H3,(H-,22,24,25)