[(1R)-1-(3-nitrophenyl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C19H19NO5S/c1-13(15-4-3-5-16(12-15)20(23)24)25-19(22)11-10-18(21)14-6-8-17(26-2)9-7-14/h3-9,12-13H,10-11H2,1-2H3/t13-/m1/s1