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

Systemtic Name: methyl 2-[6-methylsulfanyl-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-benzylsulfonylbutanoylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-(methylthio)-2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-benzylsulfonylbutanoylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-benzylsulfonylbutanoylimino)-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S3/c1-29-21(26)14-24-18-11-10-17(30-2)13-19(18)31-22(24)23-20(25)9-6-12-32(27,28)15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3