S-[2-[6-(1,3-benzodioxol-5-ylsulfonylamino)pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[6-(1,3-benzodioxol-5-ylsulfonylamino)pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[6-(1,3-benzodioxol-5-ylsulfonylamino)-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-(1,3-benzodioxol-5-ylsulfonylamino)-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-(1,3-benzodioxol-5-ylsulfonylamino)pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[6-(1,3-benzodioxol-5-ylsulfonylamino)-3-pyridyl]-2-keto-ethyl] ester Formula: C16H14N2O6S2 MolecularWeight: 394.42216

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(C=C2)OCO3

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N2O6S2/c1-10(19)25-8-13(20)11-2-5-16(17-7-11)18-26(21,22)12-3-4-14-15(6-12)24-9-23-14/h2-7H,8-9H2,1H3,(H,17,18)