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

Systemtic Name: (4-nitrophenyl)methyl 3-(dimethylamino)-4-[(4-methoxyphenyl)methylsulfanyl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(dimethylamino)-4-[(4-methoxyphenyl)methylsulfanyl]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 3-(dimethylamino)-4-[(4-methoxyphenyl)methylthio]-2-[oxo(1-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(dimethylamino)-4-[(4-methoxyphenyl)methylsulfanyl]-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 3-(dimethylamino)-4-(p-anisylthio)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C27H34N4O6S MolecularWeight: 542.64706

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C(CN(C1C(=O)N2CCCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)C1C(CN(C1C(=O)N2CCCC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H34N4O6S/c1-28(2)24-23(38-18-20-8-12-22(36-3)13-9-20)16-30(25(24)26(32)29-14-4-5-15-29)27(33)37-17-19-6-10-21(11-7-19)31(34)35/h6-13,23-25H,4-5,14-18H2,1-3H3