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

Systemtic Name: tert-butyl 2-chloranyl-2-[2-(4-nitrophenyl)carbonylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]ethanoate Openeye Name: tert-butyl 2-chloro-2-[2-(4-nitrobenzoyl)sulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetate CAS Name: 2-chloro-2-[2-[[(4-nitrophenyl)-oxomethyl]thio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-2-[2-(4-nitrobenzoyl)sulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetate Traditional Name: 2-chloro-2-[2-keto-4-[(4-nitrobenzoyl)thio]-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]acetic acid tert-butyl ester Formula: C24H24ClN3O8S MolecularWeight: 549.98066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H24ClN3O8S/c1-24(2,3)36-22(31)19(25)27-20(30)18(26-17(29)13-35-16-7-5-4-6-8-16)21(27)37-23(32)14-9-11-15(12-10-14)28(33)34/h4-12,18-19,21H,13H2,1-3H3,(H,26,29)