2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-2-methyl-3-oxidanylidene-propanethioic S-acid

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-2-methyl-3-oxidanylidene-propanethioic S-acid Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-2-methyl-3-oxo-propanethioic S-acid CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-2-methyl-3-oxopropanethioic S-acid IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-2-methyl-3-oxopropanethioic S-acid Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxy-3-keto-2-methyl-thiopropionic acid Formula: C14H16O5S MolecularWeight: 296.33884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1=CC2=C(C=C1)OCCO2)C(=O)S

Isomeric SMILES

CCOC(=O)C(C)(C1=CC2=C(C=C1)OCCO2)C(=O)S

InChI

InChI=1S/C14H16O5S/c1-3-17-12(15)14(2,13(16)20)9-4-5-10-11(8-9)19-7-6-18-10/h4-5,8H,3,6-7H2,1-2H3,(H,16,20)