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

Systemtic Name: methyl 3-[2-(2,2-dimethylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)N)CCC(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)N)CCC(=O)OC

InChI

InChI=1S/C16H21N3O5S2/c1-16(2,3)14(21)18-15-19(8-7-13(20)24-4)11-6-5-10(26(17,22)23)9-12(11)25-15/h5-6,9H,7-8H2,1-4H3,(H2,17,22,23)