S-[2-[6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)pyridin-3-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-pyridyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-pyridinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)pyridin-3-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-pyridyl]-2-keto-ethyl] ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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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)OCCCO3

Isomeric SMILES

CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18N2O6S2/c1-12(21)27-11-15(22)13-3-6-18(19-10-13)20-28(23,24)14-4-5-16-17(9-14)26-8-2-7-25-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,19,20)