methyl 2-(2,2-dimethylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2,2-dimethylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,2-dimethylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(2,2-dimethyl-1-oxopropyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-dimethylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-pivaloylimino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CCSC

Isomeric SMILES

CC(C)(C)C(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CCSC

InChI

InChI=1S/C17H22N2O3S2/c1-17(2,3)15(21)18-16-19(8-9-23-5)12-7-6-11(14(20)22-4)10-13(12)24-16/h6-7,10H,8-9H2,1-5H3