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

Systemtic Name: [(1R)-1-cyanoethyl] 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 3-(benzylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]coumarilic acid [(1R)-1-cyanoethyl] ester Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H17NO3S/c1-14(11-21)23-20(22)19-17(16-9-5-6-10-18(16)24-19)13-25-12-15-7-3-2-4-8-15/h2-10,14H,12-13H2,1H3/t14-/m1/s1