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

Systemtic Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(4-pyridylmethylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]-2-[oxo-(pyridin-4-ylmethylamino)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: 4-(p-anisylthio)-2-(4-pyridylmethylcarbamoyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H28N4O6S MolecularWeight: 536.59942

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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-])C(=O)NCC4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C27H28N4O6S/c1-36-23-8-4-21(5-9-23)18-38-24-14-25(26(32)29-15-19-10-12-28-13-11-19)30(16-24)27(33)37-17-20-2-6-22(7-3-20)31(34)35/h2-13,24-25H,14-18H2,1H3,(H,29,32)