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

Systemtic Name: 3-[2-(2-acetyloxyphenyl)carbonyloxyethyl-methyl-sulfonio]-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[2-(2-acetoxybenzoyl)oxyethyl-methyl-sulfonio]-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-[2-[(2-acetyloxyphenyl)-oxomethoxy]ethyl-methylsulfonio]-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-[2-(2-acetyloxybenzoyl)oxyethyl-methylsulfonio]-1-methyl-4-oxoquinolin-2-olate Traditional Name: 3-[2-(2-acetoxybenzoyl)oxyethyl-methyl-sulfonio]-4-keto-1-methyl-quinolin-2-olate Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCC[S+](C)C2=C(N(C3=CC=CC=C3C2=O)C)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCC[S+](C)C2=C(N(C3=CC=CC=C3C2=O)C)[O-]

InChI

InChI=1S/C22H21NO6S/c1-14(24)29-18-11-7-5-9-16(18)22(27)28-12-13-30(3)20-19(25)15-8-4-6-10-17(15)23(2)21(20)26/h4-11H,12-13H2,1-3H3