2-[2-[2-(bromomethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-azetidin-1-yl]sulfanylethanoyloxy]ethanoic acid

Systemtic Name: 2-[2-[2-(bromomethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-azetidin-1-yl]sulfanylethanoyloxy]ethanoic acid Openeye Name: 2-[2-[2-(bromomethyl)-3-(tert-butoxycarbonylamino)-4-oxo-azetidin-1-yl]sulfanylacetyl]oxyacetic acid CAS Name: 2-[2-[[2-(bromomethyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-1-azetidinyl]thio]-1-oxoethoxy]acetic acid IUPAC Name: 2-[2-[2-(bromomethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxoazetidin-1-yl]sulfanylacetyl]oxyacetic acid Traditional Name: 2-[2-[[2-(bromomethyl)-3-(tert-butoxycarbonylamino)-4-keto-azetidin-1-yl]thio]acetyl]oxyacetic acid Formula: C13H19BrN2O7S MolecularWeight: 427.26816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(N(C1=O)SCC(=O)OCC(=O)O)CBr

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(N(C1=O)SCC(=O)OCC(=O)O)CBr

InChI

InChI=1S/C13H19BrN2O7S/c1-13(2,3)23-12(21)15-10-7(4-14)16(11(10)20)24-6-9(19)22-5-8(17)18/h7,10H,4-6H2,1-3H3,(H,15,21)(H,17,18)