(4-cyanophenyl)methyl 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-cyanophenyl)methyl 3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(4,5-dihydrothiazol-2-ylthio)methyl]-2-benzofurancarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(2-thiazolin-2-ylthio)methyl]coumarilic acid (4-cyanobenzyl) ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H16N2O3S2/c22-11-14-5-7-15(8-6-14)12-25-20(24)19-17(13-28-21-23-9-10-27-21)16-3-1-2-4-18(16)26-19/h1-8H,9-10,12-13H2