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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O6S3/c1-4-29-20(25)12-23-17-10-7-15(30-3)11-18(17)31-21(23)22-19(24)13-32(26,27)16-8-5-14(28-2)6-9-16/h5-11H,4,12-13H2,1-3H3