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

Systemtic Name: ethyl 2-(2,2-dimethylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C(C)(C)C)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C(C)(C)C)S2)CCSC

InChI

InChI=1S/C18H24N2O3S2/c1-6-23-15(21)12-7-8-13-14(11-12)25-17(20(13)9-10-24-5)19-16(22)18(2,3)4/h7-8,11H,6,9-10H2,1-5H3