1-[(4-nitrophenyl)methoxycarbonyl]-4-(phenylcarbonylsulfanyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-nitrophenyl)methoxycarbonyl]-4-(phenylcarbonylsulfanyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-benzoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid CAS Name: 4-(benzoylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-benzoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-(benzoylthio)-1-(4-nitrobenzyl)oxycarbonyl-proline Formula: C20H18N2O7S MolecularWeight: 430.43112

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O7S/c23-18(24)17-10-16(30-19(25)14-4-2-1-3-5-14)11-21(17)20(26)29-12-13-6-8-15(9-7-13)22(27)28/h1-9,16-17H,10-12H2,(H,23,24)