methyl 3-(2-methoxyethyl)-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxyethyl)-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-benzylsulfonylbutanoylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylsulfonylbutanoylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H26N2O6S2 MolecularWeight: 490.59234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O6S2/c1-30-13-12-25-19-11-10-18(22(27)31-2)15-20(19)32-23(25)24-21(26)9-6-14-33(28,29)16-17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14,16H2,1-2H3