(4-nitrophenyl)methyl 2-(3-imidazol-1-ylazetidin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-imidazol-1-ylazetidin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(3-imidazol-1-ylazetidine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[3-(1-imidazolyl)-1-azetidinyl]-oxomethyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-imidazol-1-ylazetidine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(3-imidazol-1-ylazetidine-1-carbonyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H21N5O5S MolecularWeight: 431.46554

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)N2CC(C2)N3C=CN=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C(=O)N2CC(C2)N3C=CN=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])S

InChI

InChI=1S/C19H21N5O5S/c25-18(22-8-15(9-22)21-6-5-20-12-21)17-7-16(30)10-23(17)19(26)29-11-13-1-3-14(4-2-13)24(27)28/h1-6,12,15-17,30H,7-11H2