methyl 2-[2-(4-chlorophenyl)sulfonylethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(4-chlorophenyl)sulfonylethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(4-chlorophenyl)sulfonylacetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-chlorophenyl)sulfonyl-1-oxoethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenyl)sulfonylacetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-chlorophenyl)sulfonylacetyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H19ClN2O5S3 MolecularWeight: 499.02326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)Cl)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)Cl)S2)CCSC

InChI

InChI=1S/C20H19ClN2O5S3/c1-28-19(25)13-3-8-16-17(11-13)30-20(23(16)9-10-29-2)22-18(24)12-31(26,27)15-6-4-14(21)5-7-15/h3-8,11H,9-10,12H2,1-2H3