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

Systemtic Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-(4-methoxyphenyl)sulfonyl-1-oxopropyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-(4-methoxyphenyl)sulfonylpropanoylimino]-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O6S3 MolecularWeight: 494.60418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S3/c1-28-14-4-7-16(8-5-14)32(26,27)11-10-19(24)22-21-23(13-20(25)29-2)17-9-6-15(30-3)12-18(17)31-21/h4-9,12H,10-11,13H2,1-3H3