(4-nitrophenyl)methyl 2-(hydroxymethyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(hydroxymethyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(hydroxymethyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate CAS Name: 2-(hydroxymethyl)-4-[(4-methoxyphenyl)methylthio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(hydroxymethyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate Traditional Name: 2-methylol-4-(p-anisylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CO

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CO

InChI

InChI=1S/C21H24N2O6S/c1-28-19-8-4-16(5-9-19)14-30-20-10-18(12-24)22(11-20)21(25)29-13-15-2-6-17(7-3-15)23(26)27/h2-9,18,20,24H,10-14H2,1H3