(4-nitrophenyl)methyl 2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-ylmethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-ylmethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-ylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-ylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-ylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-ylmethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H25N5O5S MolecularWeight: 459.5187

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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-])CN3CCCN4C3=CC=N4

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3CCCN4C3=CC=N4

InChI

InChI=1S/C21H25N5O5S/c1-15(27)32-19-11-18(12-23-9-2-10-25-20(23)7-8-22-25)24(13-19)21(28)31-14-16-3-5-17(6-4-16)26(29)30/h3-8,18-19H,2,9-14H2,1H3