(4-nitrophenyl)methyl 2-[2-(aminocarbonylamino)ethoxymethyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(aminocarbonylamino)ethoxymethyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-ureidoethoxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[2-(carbamoylamino)ethoxymethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[2-(carbamoylamino)ethoxymethyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(2-ureidoethoxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H24N4O7S MolecularWeight: 440.47076

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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-])COCCNC(=O)N

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCCNC(=O)N

InChI

InChI=1S/C18H24N4O7S/c1-12(23)30-16-8-15(11-28-7-6-20-17(19)24)21(9-16)18(25)29-10-13-2-4-14(5-3-13)22(26)27/h2-5,15-16H,6-11H2,1H3,(H3,19,20,24)