ethyl 3-[2-(2,2-dimethylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2,2-dimethylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2,2-dimethylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-(2,2-dimethyl-1-oxopropyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,2-dimethylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-pivaloylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S2/c1-5-25-14(21)8-9-20-12-7-6-11(27(18,23)24)10-13(12)26-16(20)19-15(22)17(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H2,18,23,24)