[(1R)-1-cyanoethyl] 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 3-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(4,5-dihydrothiazol-2-ylthio)methyl]-2-benzofurancarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(2-thiazolin-2-ylthio)methyl]coumarilic acid [(1R)-1-cyanoethyl] ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NCCS3

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NCCS3

InChI

InChI=1S/C16H14N2O3S2/c1-10(8-17)20-15(19)14-12(9-23-16-18-6-7-22-16)11-4-2-3-5-13(11)21-14/h2-5,10H,6-7,9H2,1H3/t10-/m1/s1