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

Systemtic Name: methyl 2-[3-(4-methylphenyl)sulfonylpropanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-[3-(p-tolylsulfonyl)propanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[3-(4-methylphenyl)sulfonyl-1-oxopropyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylphenyl)sulfonylpropanoylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(3-tosylpropanoylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S3/c1-15-4-7-17(8-5-15)32(27,28)13-10-20(25)23-22-24(11-12-30-3)18-9-6-16(21(26)29-2)14-19(18)31-22/h4-9,14H,10-13H2,1-3H3