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

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H19N3O7S2 MolecularWeight: 477.51076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H19N3O7S2/c1-28-18(24)6-7-23-14-4-3-13(32(21,26)27)11-17(14)31-20(23)22-19(25)12-2-5-15-16(10-12)30-9-8-29-15/h2-5,10-11H,6-9H2,1H3,(H2,21,26,27)