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

Systemtic Name: 4-[(2-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(2-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[(2-methoxyphenyl)methylthio]-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(2-methoxyphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-nitrobenzyl)oxycarbonyl-4-(o-anisylthio)proline Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=CC=C1CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H22N2O7S/c1-29-19-5-3-2-4-15(19)13-31-17-10-18(20(24)25)22(11-17)21(26)30-12-14-6-8-16(9-7-14)23(27)28/h2-9,17-18H,10-13H2,1H3,(H,24,25)