3-[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]propanoic acid

Systemtic Name: 3-[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]propanoic acid Openeye Name: 3-[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]propanoic acid CAS Name: 3-[4-(acetylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]propanoic acid IUPAC Name: 3-[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]propanoic acid Traditional Name: 3-[4-(acetylthio)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]propionic acid Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S/c1-11(20)27-15-8-14(6-7-16(21)22)18(9-15)17(23)26-10-12-2-4-13(5-3-12)19(24)25/h2-5,14-15H,6-10H2,1H3,(H,21,22)