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

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

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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)SC(=O)C

Isomeric SMILES

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

InChI

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