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

Systemtic Name: methyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[3-(p-tolylsulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-tosylpropanoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H18N2O5S2/c1-12-3-6-14(7-4-12)28(24,25)10-9-17(22)21-19-20-15-8-5-13(18(23)26-2)11-16(15)27-19/h3-8,11H,9-10H2,1-2H3,(H,20,21,22)