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

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-benzylsulfonylacetyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[1-oxo-2-(phenylmethyl)sulfonylethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-benzylsulfonylacetyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-benzylsulfonylacetyl)imino-3-[2-(methylthio)ethyl]-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)CC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

InChI

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