[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-keto-ethyl] ester Formula: C18H17NO5S2 MolecularWeight: 391.46128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCSC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCSC3=CC=CC=C32

InChI

InChI=1S/C18H17NO5S2/c1-26(22,23)14-8-6-13(7-9-14)18(21)24-12-17(20)19-10-11-25-16-5-3-2-4-15(16)19/h2-9H,10-12H2,1H3