methyl 3-ethyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-ethyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-[4-(p-tolylsulfonyl)butanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(4-tosylbutanoylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H24N2O5S2/c1-4-24-18-12-9-16(21(26)29-3)14-19(18)30-22(24)23-20(25)6-5-13-31(27,28)17-10-7-15(2)8-11-17/h7-12,14H,4-6,13H2,1-3H3