(4-nitrophenyl)methyl 2-[[2-(3-methylsulfonyloxyazetidin-1-yl)-1,3-thiazol-4-yl]carbonyl-propan-2-yl-amino]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2-(3-methylsulfonyloxyazetidin-1-yl)-1,3-thiazol-4-yl]carbonyl-propan-2-yl-amino]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[isopropyl-[2-(3-methylsulfonyloxyazetidin-1-yl)thiazole-4-carbonyl]amino]acetate CAS Name: 2-[[[2-(3-methylsulfonyloxy-1-azetidinyl)-4-thiazolyl]-oxomethyl]-propan-2-ylamino]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[2-(3-methylsulfonyloxyazetidin-1-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate Traditional Name: 2-[isopropyl-[2-(3-methylsulfonyloxyazetidin-1-yl)thiazole-4-carbonyl]amino]acetic acid (4-nitrobenzyl) ester Formula: C20H24N4O8S2 MolecularWeight: 512.55656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CSC(=N2)N3CC(C3)OS(=O)(=O)C

Isomeric SMILES

CC(C)N(CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CSC(=N2)N3CC(C3)OS(=O)(=O)C

InChI

InChI=1S/C20H24N4O8S2/c1-13(2)23(10-18(25)31-11-14-4-6-15(7-5-14)24(27)28)19(26)17-12-33-20(21-17)22-8-16(9-22)32-34(3,29)30/h4-7,12-13,16H,8-11H2,1-3H3