[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 3-(benzylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid [(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]coumarilic acid [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)OC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C24H25NO4S/c1-17(23(26)25-13-7-8-14-25)28-24(27)22-20(19-11-5-6-12-21(19)29-22)16-30-15-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3/t17-/m1/s1