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

Systemtic Name: methyl 3-[2-(2,2-dimethylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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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)C)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S2/c1-17(2,3)15(21)18-16-19(9-8-14(20)24-4)12-7-6-11(26(5,22)23)10-13(12)25-16/h6-7,10H,8-9H2,1-5H3