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

Systemtic Name: (4-nitrophenyl)methyl 2-[[2-(3-oxidanylazetidin-1-yl)-1,3-thiazol-4-yl]carbonyl-propan-2-yl-amino]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[[2-(3-hydroxyazetidin-1-yl)thiazole-4-carbonyl]-isopropyl-amino]acetate CAS Name: 2-[[[2-(3-hydroxy-1-azetidinyl)-4-thiazolyl]-oxomethyl]-propan-2-ylamino]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate Traditional Name: 2-[[2-(3-hydroxyazetidin-1-yl)thiazole-4-carbonyl]-isopropyl-amino]acetic acid (4-nitrobenzyl) ester Formula: C19H22N4O6S MolecularWeight: 434.46618

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O6S/c1-12(2)22(18(26)16-11-30-19(20-16)21-7-15(24)8-21)9-17(25)29-10-13-3-5-14(6-4-13)23(27)28/h3-6,11-12,15,24H,7-10H2,1-2H3