(3-methylsulfonylphenyl) 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (3-methylsulfonylphenyl) 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (3-methylsulfonylphenyl) 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (3-methylsulfonylphenyl) ester IUPAC Name: (3-methylsulfonylphenyl) 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (3-mesylphenyl) ester Formula: C16H13NO5S2 MolecularWeight: 363.40812

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)OC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)OC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C16H13NO5S2/c1-24(20,21)12-4-2-3-11(8-12)22-16(19)10-5-6-14-13(7-10)17-15(18)9-23-14/h2-8H,9H2,1H3,(H,17,18)