tert-butyl 2-chloranyl-2-[2-ethanoylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-chloranyl-2-[2-ethanoylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-acetylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-2-chloro-acetate CAS Name: 2-[2-(acetylthio)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-2-chloroacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-acetylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-2-chloroacetate Traditional Name: 2-[2-(acetylthio)-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-2-chloro-acetic acid tert-butyl ester Formula: C19H23ClN2O6S MolecularWeight: 442.91372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1C(C(=O)N1C(C(=O)OC(C)(C)C)Cl)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(=O)SC1C(C(=O)N1C(C(=O)OC(C)(C)C)Cl)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C19H23ClN2O6S/c1-11(23)29-17-14(21-13(24)10-27-12-8-6-5-7-9-12)16(25)22(17)15(20)18(26)28-19(2,3)4/h5-9,14-15,17H,10H2,1-4H3,(H,21,24)