tert-butyl (E)-2-bromanyl-4-[2-methanoylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-oxidanyl-but-3-enoate

Systemtic Name: tert-butyl (E)-2-bromanyl-4-[2-methanoylsulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-oxidanyl-but-3-enoate Openeye Name: tert-butyl (E)-2-bromo-4-[2-formylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-hydroxy-but-3-enoate CAS Name: (E)-2-bromo-4-[2-(formylthio)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-hydroxy-3-butenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-bromo-4-[2-formylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-hydroxybut-3-enoate Traditional Name: (E)-2-bromo-4-[2-(formylthio)-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-hydroxy-but-3-enoic acid tert-butyl ester Formula: C20H23BrN2O7S MolecularWeight: 515.37482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=CN1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SC=O)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)C(/C(=C\N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SC=O)/O)Br

InChI

InChI=1S/C20H23BrN2O7S/c1-20(2,3)30-19(28)15(21)13(25)9-23-17(27)16(18(23)31-11-24)22-14(26)10-29-12-7-5-4-6-8-12/h4-9,11,15-16,18,25H,10H2,1-3H3,(H,22,26)/b13-9+