ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H21N3O7S2 MolecularWeight: 491.53734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O7S2/c1-2-29-19(25)9-10-24-14-8-7-13(33(22,27)28)11-18(14)32-21(24)23-20(26)17-12-30-15-5-3-4-6-16(15)31-17/h3-8,11,17H,2,9-10,12H2,1H3,(H2,22,27,28)