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

Systemtic Name: S-[2-[6-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[6-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-(2,3-dihydrobenzofuran-5-ylsulfonylamino)-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[6-(coumaran-5-ylsulfonylamino)-3-pyridyl]-2-keto-ethyl] ester Formula: C17H16N2O5S2 MolecularWeight: 392.44934

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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)OCC3

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C17H16N2O5S2/c1-11(20)25-10-15(21)13-2-5-17(18-9-13)19-26(22,23)14-3-4-16-12(8-14)6-7-24-16/h2-5,8-9H,6-7,10H2,1H3,(H,18,19)