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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

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