[2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] ester Formula: C25H23NO5S2 MolecularWeight: 481.58382

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)N2C(CSC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)N2C(CSC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO5S2/c1-33(29,30)17-18-8-7-11-20(14-18)25(28)31-15-24(27)26-21-12-5-6-13-23(21)32-16-22(26)19-9-3-2-4-10-19/h2-14,22H,15-17H2,1H3