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

Systemtic Name: methyl 2-[2-[4-(4-methoxyphenyl)sulfonylbutanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(4-methoxyphenyl)sulfonylbutanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(4-methoxyphenyl)sulfonyl-1-oxobutyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-methoxyphenyl)sulfonylbutanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(4-methoxyphenyl)sulfonylbutanoylimino]-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O6S3 MolecularWeight: 508.63076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)SC)CC(=O)OC

InChI

InChI=1S/C22H24N2O6S3/c1-29-15-6-9-17(10-7-15)33(27,28)12-4-5-20(25)23-22-24(14-21(26)30-2)18-11-8-16(31-3)13-19(18)32-22/h6-11,13H,4-5,12,14H2,1-3H3