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

Systemtic Name: methyl 3-(2-methoxyethyl)-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H26N2O6S2 MolecularWeight: 490.59234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCOC

InChI

InChI=1S/C23H26N2O6S2/c1-16-6-9-18(10-7-16)33(28,29)14-4-5-21(26)24-23-25(12-13-30-2)19-11-8-17(22(27)31-3)15-20(19)32-23/h6-11,15H,4-5,12-14H2,1-3H3