(4-nitrophenyl)methyl 4-(2-aminocarbonyloxyethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-2-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-(2-aminocarbonyloxyethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-2-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-(2-carbamoyloxyethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(2-carbamoyloxyethyl)-4-[(4-methoxyphenyl)methylthio]-2-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(2-carbamoyloxyethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(2-carbamoyloxyethyl)-4-(p-anisylthio)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C28H35N5O8S MolecularWeight: 601.6712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2(CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCNCC4)CCOC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)CSC2(CC(N(C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCNCC4)CCOC(=O)N

InChI

InChI=1S/C28H35N5O8S/c1-39-23-8-4-21(5-9-23)18-42-28(10-15-40-26(29)35)16-24(25(34)31-13-11-30-12-14-31)32(19-28)27(36)41-17-20-2-6-22(7-3-20)33(37)38/h2-9,24,30H,10-19H2,1H3,(H2,29,35)