ethyl 2-[6-ethoxy-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethoxy-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-[4-(p-tolylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[4-(4-methylphenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(4-tosylbutanoylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H28N2O6S2 MolecularWeight: 504.61892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)S2)CC(=O)OCC

InChI

InChI=1S/C24H28N2O6S2/c1-4-31-18-10-13-20-21(15-18)33-24(26(20)16-23(28)32-5-2)25-22(27)7-6-14-34(29,30)19-11-8-17(3)9-12-19/h8-13,15H,4-7,14,16H2,1-3H3