(4-nitrophenyl)methyl 1-[[2-(3-ethanoylsulfanylazetidin-1-yl)-1,3-thiazol-4-yl]carbonyl]piperazine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-[[2-(3-ethanoylsulfanylazetidin-1-yl)-1,3-thiazol-4-yl]carbonyl]piperazine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-[2-(3-acetylsulfanylazetidin-1-yl)thiazole-4-carbonyl]piperazine-2-carboxylate CAS Name: 1-[[2-[3-(acetylthio)-1-azetidinyl]-4-thiazolyl]-oxomethyl]-2-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-[2-(3-acetylsulfanylazetidin-1-yl)-1,3-thiazole-4-carbonyl]piperazine-2-carboxylate Traditional Name: 1-[2-[3-(acetylthio)azetidin-1-yl]thiazole-4-carbonyl]piperazine-2-carboxylic acid (4-nitrobenzyl) ester Formula: C21H23N5O6S2 MolecularWeight: 505.56722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CN(C1)C2=NC(=CS2)C(=O)N3CCNCC3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CN(C1)C2=NC(=CS2)C(=O)N3CCNCC3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O6S2/c1-13(27)34-16-9-24(10-16)21-23-17(12-33-21)19(28)25-7-6-22-8-18(25)20(29)32-11-14-2-4-15(5-3-14)26(30)31/h2-5,12,16,18,22H,6-11H2,1H3