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

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-benzylsulfonylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-benzylsulfonylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylimino)-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C22H24N2O5S3/c1-29-21(26)17-8-9-18-19(14-17)31-22(24(18)11-12-30-2)23-20(25)10-13-32(27,28)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3