S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)phenyl]-2-keto-ethyl] ester Formula: C19H18O6S2 MolecularWeight: 406.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H18O6S2/c1-13(20)26-11-17(21)15-4-2-14(3-5-15)12-27(22,23)16-6-7-18-19(10-16)25-9-8-24-18/h2-7,10H,8-9,11-12H2,1H3