3-[methyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]sulfonio]-4-oxidanylidene-1H-quinolin-2-olate

Systemtic Name: 3-[methyl-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]sulfonio]-4-oxidanylidene-1H-quinolin-2-olate Openeye Name: 3-[methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]sulfonio]-4-oxo-1H-quinolin-2-olate CAS Name: 3-[methyl-[2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl]sulfonio]-4-oxo-1H-quinolin-2-olate IUPAC Name: 3-[methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]sulfonio]-4-oxo-1H-quinolin-2-olate Traditional Name: 4-keto-3-[methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]sulfonio]-1H-quinolin-2-olate Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[S+](C)C2=C(NC3=CC=CC=C3C2=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[S+](C)C2=C(NC3=CC=CC=C3C2=O)[O-]

InChI

InChI=1S/C22H24N2O6S/c1-28-16-11-13(12-17(29-2)19(16)30-3)21(26)23-9-10-31(4)20-18(25)14-7-5-6-8-15(14)24-22(20)27/h5-8,11-12H,9-10H2,1-4H3,(H2-,23,24,25,26,27)