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

Systemtic Name: methyl 2-[6-butyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-butyl-2-[4-(p-tolylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[4-(4-methylphenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-butyl-2-[4-(4-methylphenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(4-tosylbutanoylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)S2)CC(=O)OC

InChI

InChI=1S/C25H30N2O5S2/c1-4-5-7-19-11-14-21-22(16-19)33-25(27(21)17-24(29)32-3)26-23(28)8-6-15-34(30,31)20-12-9-18(2)10-13-20/h9-14,16H,4-8,15,17H2,1-3H3