(4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-pyrrolidin-3-yl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-pyrrolidin-3-yl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-pyrrolidin-3-yl-pyrrolidine-1-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]-2-(3-pyrrolidinyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-pyrrolidin-3-ylpyrrolidine-1-carboxylate Traditional Name: 4-(p-anisylthio)-2-pyrrolidin-3-yl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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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-])C4CCNC4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4CCNC4

InChI

InChI=1S/C24H29N3O5S/c1-31-21-8-4-18(5-9-21)16-33-22-12-23(19-10-11-25-13-19)26(14-22)24(28)32-15-17-2-6-20(7-3-17)27(29)30/h2-9,19,22-23,25H,10-16H2,1H3