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

Systemtic Name: ethyl 2-[2-(4-methylphenyl)sulfonylethanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)C3=CC=C(C=C3)C)S2)CCSC

InChI

InChI=1S/C22H24N2O5S3/c1-4-29-21(26)16-7-10-18-19(13-16)31-22(24(18)11-12-30-3)23-20(25)14-32(27,28)17-8-5-15(2)6-9-17/h5-10,13H,4,11-12,14H2,1-3H3