methyl-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]sulfanium

Systemtic Name: methyl-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethyl]sulfanium Openeye Name: (2-hydroxy-4-oxo-chromen-3-yl)-methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]sulfonium CAS Name: (2-hydroxy-4-oxo-1-benzopyran-3-yl)-methyl-[2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl]sulfonium IUPAC Name: (2-hydroxy-4-oxochromen-3-yl)-methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]sulfanium Traditional Name: (2-hydroxy-4-keto-chromen-3-yl)-methyl-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]sulfonium Formula: C22H24NO7S+ MolecularWeight: 446.49346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[S+](C)C2=C(OC3=CC=CC=C3C2=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC[S+](C)C2=C(OC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C22H23NO7S/c1-27-16-11-13(12-17(28-2)19(16)29-3)21(25)23-9-10-31(4)20-18(24)14-7-5-6-8-15(14)30-22(20)26/h5-8,11-12H,9-10H2,1-4H3,(H-,23,24,25,26)/p+1