7-[3-(ethoxycarbonylamino)phenoxy]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

Systemtic Name: 7-[3-(ethoxycarbonylamino)phenoxy]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid Openeye Name: 7-[3-(ethoxycarbonylamino)phenoxy]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid CAS Name: 7-[3-(ethoxycarbonylamino)phenoxy]sulfonyl-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid IUPAC Name: 7-[3-(ethoxycarbonylamino)phenoxy]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid Traditional Name: 7-[3-(carbethoxyamino)phenoxy]sulfonyl-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid Formula: C18H17NO9S MolecularWeight: 423.39388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=CC3=C(C(=C2)C(=O)O)OCCO3

Isomeric SMILES

CCOC(=O)NC1=CC(=CC=C1)OS(=O)(=O)C2=CC3=C(C(=C2)C(=O)O)OCCO3

InChI

InChI=1S/C18H17NO9S/c1-2-25-18(22)19-11-4-3-5-12(8-11)28-29(23,24)13-9-14(17(20)21)16-15(10-13)26-6-7-27-16/h3-5,8-10H,2,6-7H2,1H3,(H,19,22)(H,20,21)