2-acetyloxy-2-[2-(iodanylmethyl)-4-oxidanylidene-3-[2-pyridin-4-ylethanoyl(sulfanyl)amino]azetidin-1-yl]sulfanyl-ethanoic acid

Systemtic Name: 2-acetyloxy-2-[2-(iodanylmethyl)-4-oxidanylidene-3-[2-pyridin-4-ylethanoyl(sulfanyl)amino]azetidin-1-yl]sulfanyl-ethanoic acid Openeye Name: 2-acetoxy-2-[2-(iodomethyl)-4-oxo-3-[[2-(4-pyridyl)acetyl]-sulfanyl-amino]azetidin-1-yl]sulfanyl-acetic acid CAS Name: 2-acetyloxy-2-[[2-(iodomethyl)-3-[mercapto-(1-oxo-2-pyridin-4-ylethyl)amino]-4-oxo-1-azetidinyl]thio]acetic acid IUPAC Name: 2-acetyloxy-2-[2-(iodomethyl)-4-oxo-3-[(2-pyridin-4-ylacetyl)-sulfanylamino]azetidin-1-yl]sulfanylacetic acid Traditional Name: 2-acetoxy-2-[[2-(iodomethyl)-4-keto-3-[mercapto-[2-(4-pyridyl)acetyl]amino]azetidin-1-yl]thio]acetic acid Formula: C15H16IN3O6S2 MolecularWeight: 525.33851

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(=O)O)SN1C(C(C1=O)N(C(=O)CC2=CC=NC=C2)S)CI

Isomeric SMILES

CC(=O)OC(C(=O)O)SN1C(C(C1=O)N(C(=O)CC2=CC=NC=C2)S)CI

InChI

InChI=1S/C15H16IN3O6S2/c1-8(20)25-15(14(23)24)27-19-10(7-16)12(13(19)22)18(26)11(21)6-9-2-4-17-5-3-9/h2-5,10,12,15,26H,6-7H2,1H3,(H,23,24)