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

Systemtic Name: 2-[2-[3-[2-(2-aminophenyl)ethanoylamino]-2-(chloromethyl)-4-oxidanylidene-azetidin-1-yl]sulfanylethanoyloxy]ethanoic acid Openeye Name: 2-[2-[3-[[2-(2-aminophenyl)acetyl]amino]-2-(chloromethyl)-4-oxo-azetidin-1-yl]sulfanylacetyl]oxyacetic acid CAS Name: 2-[2-[[3-[[2-(2-aminophenyl)-1-oxoethyl]amino]-2-(chloromethyl)-4-oxo-1-azetidinyl]thio]-1-oxoethoxy]acetic acid IUPAC Name: 2-[2-[3-[[2-(2-aminophenyl)acetyl]amino]-2-(chloromethyl)-4-oxoazetidin-1-yl]sulfanylacetyl]oxyacetic acid Traditional Name: 2-[2-[[3-[[2-(2-aminophenyl)acetyl]amino]-2-(chloromethyl)-4-keto-azetidin-1-yl]thio]acetyl]oxyacetic acid Formula: C16H18ClN3O6S MolecularWeight: 415.84862

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O6S/c17-6-11-15(19-12(21)5-9-3-1-2-4-10(9)18)16(25)20(11)27-8-14(24)26-7-13(22)23/h1-4,11,15H,5-8,18H2,(H,19,21)(H,22,23)