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

Systemtic Name: ethyl 3-(2-methoxyethyl)-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methoxyethyl)-2-[4-(p-tolylsulfonyl)butanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[4-(4-methylphenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxyethyl)-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-methoxyethyl)-2-(4-tosylbutanoylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H28N2O6S2 MolecularWeight: 504.61892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)S2)CCOC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)S2)CCOC

InChI

InChI=1S/C24H28N2O6S2/c1-4-32-23(28)18-9-12-20-21(16-18)33-24(26(20)13-14-31-3)25-22(27)6-5-15-34(29,30)19-10-7-17(2)8-11-19/h7-12,16H,4-6,13-15H2,1-3H3