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

Systemtic Name: 2-[4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]ethanoic acid Openeye Name: 2-[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]acetic acid CAS Name: 2-[4-(acetylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]acetic acid Traditional Name: 2-[4-(acetylthio)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]acetic acid Formula: C16H18N2O7S MolecularWeight: 382.38832

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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-])CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7S/c1-10(19)26-14-6-13(7-15(20)21)17(8-14)16(22)25-9-11-2-4-12(5-3-11)18(23)24/h2-5,13-14H,6-9H2,1H3,(H,20,21)