methyl 2-[2-(4-methylphenyl)sulfonylethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(4-methylphenyl)sulfonylethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-[2-(p-tolylsulfonyl)acetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-methylphenyl)sulfonyl-1-oxoethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methylphenyl)sulfonylacetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(2-tosylacetyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O5S3 MolecularWeight: 478.60478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

InChI

InChI=1S/C21H22N2O5S3/c1-14-4-7-16(8-5-14)31(26,27)13-19(24)22-21-23(10-11-29-3)17-9-6-15(20(25)28-2)12-18(17)30-21/h4-9,12H,10-11,13H2,1-3H3