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

Systemtic Name: 4-[(4-methylphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-nitrophenyl)methoxycarbonyl]-4-(p-tolylmethylsulfanyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-methylphenyl)methylthio]-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(4-methylphenyl)methylsulfanyl]-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[(4-methylbenzyl)thio]-1-(4-nitrobenzyl)oxycarbonyl-proline Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H22N2O6S/c1-14-2-4-16(5-3-14)13-30-18-10-19(20(24)25)22(11-18)21(26)29-12-15-6-8-17(9-7-15)23(27)28/h2-9,18-19H,10-13H2,1H3,(H,24,25)