(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[(3-prop-2-enoxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[(3-prop-2-enoxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(3-allyloxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[oxo-[3-[oxo(prop-2-enoxy)methyl]anilino]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[(3-prop-2-enoxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[(3-allyloxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H25N3O8S MolecularWeight: 527.5463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)OCC=C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)OCC=C

InChI

InChI=1S/C25H25N3O8S/c1-3-11-35-24(31)18-5-4-6-19(12-18)26-23(30)22-13-21(37-16(2)29)14-27(22)25(32)36-15-17-7-9-20(10-8-17)28(33)34/h3-10,12,21-22H,1,11,13-15H2,2H3,(H,26,30)