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

Systemtic Name: S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)cyclohexa-2,4-dien-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)cyclohexa-2,4-dien-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-1-cyclohexa-2,4-dienyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)cyclohexa-2,4-dien-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)cyclohexa-2,4-dien-1-yl]-2-keto-ethyl] ester Formula: C18H19NO6S2 MolecularWeight: 409.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)SCC(=O)C1CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H19NO6S2/c1-12(20)26-11-16(21)13-2-4-14(5-3-13)19-27(22,23)15-6-7-17-18(10-15)25-9-8-24-17/h2,4-7,10,13,19H,3,8-9,11H2,1H3