methyl 3-(2-methylsulfanylethyl)-2-(2-phenylethanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(2-phenylethanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-(2-phenylacetyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-(1-oxo-2-phenylethyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(2-phenylacetyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(2-phenylacetyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c1-25-19(24)15-8-9-16-17(13-15)27-20(22(16)10-11-26-2)21-18(23)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3