ethyl 3-(2-methylsulfanylethyl)-2-(phenylcarbonylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-(phenylcarbonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-benzoylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-benzoylimino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzoylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-benzoylimino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c1-3-25-19(24)15-9-10-16-17(13-15)27-20(22(16)11-12-26-2)21-18(23)14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3