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

Systemtic Name: methyl 2-ethanoylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-acetylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-acetylimino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-acetylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-acetylimino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C14H16N2O3S2 MolecularWeight: 324.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S2/c1-9(17)15-14-16(6-7-20-3)11-5-4-10(13(18)19-2)8-12(11)21-14/h4-5,8H,6-7H2,1-3H3