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

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

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S2/c1-4-29-21(26)16-9-12-18-19(14-16)30-22(24(18)3)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