[(1R)-1-(1-benzofuran-2-yl)ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(1R)-1-(1-benzofuran-2-yl)ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-1-(benzofuran-2-yl)ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(1R)-1-(2-benzofuranyl)ethyl] ester IUPAC Name: [(1R)-1-(1-benzofuran-2-yl)ethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-1-(benzofuran-2-yl)ethyl] ester Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)OC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)OC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO5S/c1-11(16-10-12-5-3-4-6-15(12)24-16)23-18(20)13-7-8-17(25-2)14(9-13)19(21)22/h3-11H,1-2H3/t11-/m1/s1