S-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyrimidin-5-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyrimidin-5-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyrimidin-5-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyrimidin-5-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)pyrimidin-5-yl]-2-keto-ethyl] ester Formula: C16H15N3O6S2 MolecularWeight: 409.4368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6S2/c1-10(20)26-9-13(21)11-7-17-16(18-8-11)19-27(22,23)12-2-3-14-15(6-12)25-5-4-24-14/h2-3,6-8H,4-5,9H2,1H3,(H,17,18,19)