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

Systemtic Name: methyl 2-(2-methylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-methylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(2-methyl-1-oxopropyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-isobutyrylimino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S2/c1-10(2)14(19)17-16-18(7-8-22-4)12-6-5-11(15(20)21-3)9-13(12)23-16/h5-6,9-10H,7-8H2,1-4H3