dimethyl 2-[(1S)-1-(4-methylsulfanylphenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-1-(4-methylsulfanylphenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-[(1S)-1-(4-methylsulfanylphenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1S)-1-[4-(methylthio)phenyl]-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-1-(4-methylsulfanylphenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1S)-1-[4-(methylthio)phenyl]-2-nitro-ethyl]malonic acid dimethyl ester Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6S/c1-20-13(16)12(14(17)21-2)11(8-15(18)19)9-4-6-10(22-3)7-5-9/h4-7,11-12H,8H2,1-3H3/t11-/m1/s1