ethyl 2-[5,7-dimethyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,7-dimethyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,7-dimethyl-2-[4-(p-tolylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[4-(4-methylphenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,7-dimethyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,7-dimethyl-2-(4-tosylbutanoylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C24H28N2O5S2/c1-5-31-22(28)15-26-20-14-17(3)13-18(4)23(20)32-24(26)25-21(27)7-6-12-33(29,30)19-10-8-16(2)9-11-19/h8-11,13-14H,5-7,12,15H2,1-4H3