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

Systemtic Name: 2-[(2-acetyloxyphenyl)carbonylamino]ethyl-methyl-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)sulfanium Openeye Name: 2-[(2-acetoxybenzoyl)amino]ethyl-(2-hydroxy-4-oxo-chromen-3-yl)-methyl-sulfonium CAS Name: 2-[[(2-acetyloxyphenyl)-oxomethyl]amino]ethyl-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-methylsulfonium IUPAC Name: 2-[(2-acetyloxybenzoyl)amino]ethyl-(2-hydroxy-4-oxochromen-3-yl)-methylsulfanium Traditional Name: 2-[(2-acetoxybenzoyl)amino]ethyl-(2-hydroxy-4-keto-chromen-3-yl)-methyl-sulfonium Formula: C21H20NO6S+ MolecularWeight: 414.4516

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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)/p+1