3-[2-[(2-acetyloxyphenyl)carbonylamino]ethyl-methyl-sulfonio]-4-oxidanylidene-chromen-2-olate

Systemtic Name: 3-[2-[(2-acetyloxyphenyl)carbonylamino]ethyl-methyl-sulfonio]-4-oxidanylidene-chromen-2-olate Openeye Name: 3-[2-[(2-acetoxybenzoyl)amino]ethyl-methyl-sulfonio]-4-oxo-chromen-2-olate CAS Name: 3-[2-[[(2-acetyloxyphenyl)-oxomethyl]amino]ethyl-methylsulfonio]-4-oxo-1-benzopyran-2-olate IUPAC Name: 3-[2-[(2-acetyloxybenzoyl)amino]ethyl-methylsulfonio]-4-oxochromen-2-olate Traditional Name: 3-[2-[(2-acetoxybenzoyl)amino]ethyl-methyl-sulfonio]-4-keto-chromen-2-olate Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NCC[S+](C)C2=C(OC3=CC=CC=C3C2=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NCC[S+](C)C2=C(OC3=CC=CC=C3C2=O)[O-]

InChI

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