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

Systemtic Name: 4-ethoxycarbonylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-ethoxycarbonylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid CAS Name: 4-(ethoxycarbonylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-ethoxycarbonylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-(carbethoxythio)-1-(4-nitrobenzyl)oxycarbonyl-proline Formula: C16H18N2O8S MolecularWeight: 398.38772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O8S/c1-2-25-16(22)27-12-7-13(14(19)20)17(8-12)15(21)26-9-10-3-5-11(6-4-10)18(23)24/h3-6,12-13H,2,7-9H2,1H3,(H,19,20)