8-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[[(5-esyl-1,3-benzoxazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C19H17NO7S2 MolecularWeight: 435.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC(=CC4=C3OCOC4)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC3=CC(=CC4=C3OCOC4)C(=O)O

InChI

InChI=1S/C19H17NO7S2/c1-2-29(23,24)14-3-4-16-15(7-14)20-19(27-16)28-9-13-6-11(18(21)22)5-12-8-25-10-26-17(12)13/h3-7H,2,8-10H2,1H3,(H,21,22)