[3-(nitrooxymethyl)phenyl] (2S)-1-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: [3-(nitrooxymethyl)phenyl] (2S)-1-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: [3-(nitrooxymethyl)phenyl] (2S)-1-[(2S)-3-acetylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid [3-(nitrooxymethyl)phenyl] ester IUPAC Name: [3-(nitrooxymethyl)phenyl] (2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-3-(acetylthio)-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid [3-(nitrooxymethyl)phenyl] ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-]

Isomeric SMILES

C[C@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O7S/c1-12(11-28-13(2)21)17(22)19-8-4-7-16(19)18(23)27-15-6-3-5-14(9-15)10-26-20(24)25/h3,5-6,9,12,16H,4,7-8,10-11H2,1-2H3/t12-,16+/m1/s1