methyl 3-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-dioxin-5-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,3-dihydro-1,4-dioxine-5-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2,3-dihydro-1,4-dioxin-5-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-dioxine-5-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,3-dihydro-p-dioxin-5-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C16H17N3O7S2 MolecularWeight: 427.45208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=COCCO3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=COCCO3

InChI

InChI=1S/C16H17N3O7S2/c1-24-14(20)4-5-19-11-3-2-10(28(17,22)23)8-13(11)27-16(19)18-15(21)12-9-25-6-7-26-12/h2-3,8-9H,4-7H2,1H3,(H2,17,22,23)