(4-nitrophenyl)methyl 2-(2,3-dihydroimidazo[1,2-b]pyrazol-1-ylmethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2,3-dihydroimidazo[1,2-b]pyrazol-1-ylmethyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2,3-dihydroimidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(2,3-dihydroimidazo[1,2-b]pyrazol-1-ylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2,3-dihydroimidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(2,3-dihydroimidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H23N5O5S MolecularWeight: 445.49212

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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-])CN3CCN4C3=CC=N4

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3CCN4C3=CC=N4

InChI

InChI=1S/C20H23N5O5S/c1-14(26)31-18-10-17(11-22-8-9-24-19(22)6-7-21-24)23(12-18)20(27)30-13-15-2-4-16(5-3-15)25(28)29/h2-7,17-18H,8-13H2,1H3