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

Systemtic Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)sulfanylethanoate Openeye Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl] 2-(4-acetamidophenyl)sulfanylacetate CAS Name: 2-[(4-acetamidophenyl)thio]acetic 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] 2-(4-acetamidophenyl)sulfanylacetate Traditional Name: 2-[(4-acetamidophenyl)thio]acetic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-keto-ethyl] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC(=O)N2CCSC3=CC=CC=C32

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC(=O)N2CCSC3=CC=CC=C32

InChI

InChI=1S/C20H20N2O4S2/c1-14(23)21-15-6-8-16(9-7-15)28-13-20(25)26-12-19(24)22-10-11-27-18-5-3-2-4-17(18)22/h2-9H,10-13H2,1H3,(H,21,23)