(4-nitrophenyl)methyl 2-[[2-(3-ethanoylsulfanylazetidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]carbonylamino]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2-(3-ethanoylsulfanylazetidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]carbonylamino]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[[2-(3-acetylsulfanylazetidin-1-yl)-4-isopropyl-thiazole-5-carbonyl]amino]acetate CAS Name: 2-[[[2-[3-(acetylthio)-1-azetidinyl]-4-propan-2-yl-5-thiazolyl]-oxomethyl]amino]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[2-(3-acetylsulfanylazetidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbonyl]amino]acetate Traditional Name: 2-[[2-[3-(acetylthio)azetidin-1-yl]-4-isopropyl-thiazole-5-carbonyl]amino]acetic acid (4-nitrobenzyl) ester Formula: C21H24N4O6S2 MolecularWeight: 492.56846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(SC(=N1)N2CC(C2)SC(=O)C)C(=O)NCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(SC(=N1)N2CC(C2)SC(=O)C)C(=O)NCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S2/c1-12(2)18-19(33-21(23-18)24-9-16(10-24)32-13(3)26)20(28)22-8-17(27)31-11-14-4-6-15(7-5-14)25(29)30/h4-7,12,16H,8-11H2,1-3H3,(H,22,28)