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

Systemtic Name: ethyl 3-[2-(2,2-dimethylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2,2-dimethylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-(2,2-dimethyl-1-oxopropyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,2-dimethylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-mesyl-2-pivaloylimino-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S2/c1-6-25-15(21)9-10-20-13-8-7-12(27(5,23)24)11-14(13)26-17(20)19-16(22)18(2,3)4/h7-8,11H,6,9-10H2,1-5H3