(4-nitrophenyl)methyl (2S,4S)-4-ethanoylsulfanyl-2-[(3S)-1-methylpyrrolidin-3-yl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-4-ethanoylsulfanyl-2-[(3S)-1-methylpyrrolidin-3-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[(3S)-1-methylpyrrolidin-3-yl]pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-2-[(3S)-1-methyl-3-pyrrolidinyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[(3S)-1-methylpyrrolidin-3-yl]pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-2-[(3S)-1-methylpyrrolidin-3-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H25N3O5S MolecularWeight: 407.4839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CCN(C3)C

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[C@H]3CCN(C3)C

InChI

InChI=1S/C19H25N3O5S/c1-13(23)28-17-9-18(15-7-8-20(2)10-15)21(11-17)19(24)27-12-14-3-5-16(6-4-14)22(25)26/h3-6,15,17-18H,7-12H2,1-2H3/t15-,17-,18-/m0/s1