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

Systemtic Name: tert-butyl 2-chloranyl-2-[2-(2-methylpropanoylsulfanyl)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]ethanoate Openeye Name: tert-butyl 2-chloro-2-[2-(2-methylpropanoylsulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetate CAS Name: 2-chloro-2-[2-[(2-methyl-1-oxopropyl)thio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-2-[2-(2-methylpropanoylsulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetate Traditional Name: 2-chloro-2-[2-(isobutyrylthio)-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetic acid tert-butyl ester Formula: C21H27ClN2O6S MolecularWeight: 470.96688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O6S/c1-12(2)20(28)31-18-15(23-14(25)11-29-13-9-7-6-8-10-13)17(26)24(18)16(22)19(27)30-21(3,4)5/h6-10,12,15-16,18H,11H2,1-5H3,(H,23,25)