2-[2-[2-(chloromethyl)-3-[2-(2-hydroxyphenyl)ethanoylamino]-4-oxidanylidene-azetidin-1-yl]sulfanylethanoyloxy]ethanoic acid

Systemtic Name: 2-[2-[2-(chloromethyl)-3-[2-(2-hydroxyphenyl)ethanoylamino]-4-oxidanylidene-azetidin-1-yl]sulfanylethanoyloxy]ethanoic acid Openeye Name: 2-[2-[2-(chloromethyl)-3-[[2-(2-hydroxyphenyl)acetyl]amino]-4-oxo-azetidin-1-yl]sulfanylacetyl]oxyacetic acid CAS Name: 2-[2-[[2-(chloromethyl)-3-[[2-(2-hydroxyphenyl)-1-oxoethyl]amino]-4-oxo-1-azetidinyl]thio]-1-oxoethoxy]acetic acid IUPAC Name: 2-[2-[2-(chloromethyl)-3-[[2-(2-hydroxyphenyl)acetyl]amino]-4-oxoazetidin-1-yl]sulfanylacetyl]oxyacetic acid Traditional Name: 2-[2-[[2-(chloromethyl)-3-[[2-(2-hydroxyphenyl)acetyl]amino]-4-keto-azetidin-1-yl]thio]acetyl]oxyacetic acid Formula: C16H17ClN2O7S MolecularWeight: 416.83338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)NC2C(N(C2=O)SCC(=O)OCC(=O)O)CCl)O

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)NC2C(N(C2=O)SCC(=O)OCC(=O)O)CCl)O

InChI

InChI=1S/C16H17ClN2O7S/c17-6-10-15(18-12(21)5-9-3-1-2-4-11(9)20)16(25)19(10)27-8-14(24)26-7-13(22)23/h1-4,10,15,20H,5-8H2,(H,18,21)(H,22,23)