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

Systemtic Name: ethyl 2-(1-benzofuran-2-ylcarbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(benzofuran-2-carbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-benzofuranyl(oxo)methyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-benzofuran-2-carbonylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(benzofuran-2-carbonylimino)-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=CC=CC=C4O3)S2)CCSC

InChI

InChI=1S/C22H20N2O4S2/c1-3-27-21(26)15-8-9-16-19(13-15)30-22(24(16)10-11-29-2)23-20(25)18-12-14-6-4-5-7-17(14)28-18/h4-9,12-13H,3,10-11H2,1-2H3