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

Systemtic Name: ethyl 3-ethyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S2/c1-4-25-19-13-10-17(22(27)30-5-2)15-20(19)31-23(25)24-21(26)7-6-14-32(28,29)18-11-8-16(3)9-12-18/h8-13,15H,4-7,14H2,1-3H3