[(1R)-1-cyanoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [(1R)-1-cyanoethyl] ester Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO3S/c1-9(7-15)17-14(16)13-11(8-19-2)10-5-3-4-6-12(10)18-13/h3-6,9H,8H2,1-2H3/t9-/m1/s1