S-[2-[6-(1,4-dihydro-2,3-benzodioxin-6-ylsulfonylamino)pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[6-(1,4-dihydro-2,3-benzodioxin-6-ylsulfonylamino)pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[6-(1,4-dihydro-2,3-benzodioxin-6-ylsulfonylamino)-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-(1,4-dihydro-2,3-benzodioxin-6-ylsulfonylamino)-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-(1,4-dihydro-2,3-benzodioxin-6-ylsulfonylamino)pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[6-(1,4-dihydro-2,3-benzodioxin-6-ylsulfonylamino)-3-pyridyl]-2-keto-ethyl] ester Formula: C17H16N2O6S2 MolecularWeight: 408.44874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(COOC3)C=C2

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(COOC3)C=C2

InChI

InChI=1S/C17H16N2O6S2/c1-11(20)26-10-16(21)12-3-5-17(18-7-12)19-27(22,23)15-4-2-13-8-24-25-9-14(13)6-15/h2-7H,8-10H2,1H3,(H,18,19)