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

Systemtic Name: phenacyl 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: phenacyl 3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(4,5-dihydrothiazol-2-ylthio)methyl]-2-benzofurancarboxylic acid phenacyl ester IUPAC Name: phenacyl 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(2-thiazolin-2-ylthio)methyl]coumarilic acid phenacyl ester Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17NO4S2/c23-17(14-6-2-1-3-7-14)12-25-20(24)19-16(13-28-21-22-10-11-27-21)15-8-4-5-9-18(15)26-19/h1-9H,10-13H2