methyl 2-[5,6-dimethyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5,6-dimethyl-2-[4-(p-tolylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,6-dimethyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,6-dimethyl-2-(4-tosylbutanoylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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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)C)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S2/c1-15-7-9-18(10-8-15)32(28,29)11-5-6-21(26)24-23-25(14-22(27)30-4)19-12-16(2)17(3)13-20(19)31-23/h7-10,12-13H,5-6,11,14H2,1-4H3