2-acetyloxy-2-[3-[2-azanylethanoyl-(4-hydroxyphenyl)amino]-2-(bromomethyl)-4-oxidanylidene-azetidin-1-yl]sulfanyl-ethanoic acid

Systemtic Name: 2-acetyloxy-2-[3-[2-azanylethanoyl-(4-hydroxyphenyl)amino]-2-(bromomethyl)-4-oxidanylidene-azetidin-1-yl]sulfanyl-ethanoic acid Openeye Name: 2-acetoxy-2-[3-(N-(2-aminoacetyl)-4-hydroxy-anilino)-2-(bromomethyl)-4-oxo-azetidin-1-yl]sulfanyl-acetic acid CAS Name: 2-acetyloxy-2-[[3-(N-(2-amino-1-oxoethyl)-4-hydroxyanilino)-2-(bromomethyl)-4-oxo-1-azetidinyl]thio]acetic acid IUPAC Name: 2-acetyloxy-2-[3-(N-(2-aminoacetyl)-4-hydroxyanilino)-2-(bromomethyl)-4-oxoazetidin-1-yl]sulfanylacetic acid Traditional Name: 2-acetoxy-2-[[2-(bromomethyl)-3-(N-glycyl-4-hydroxy-anilino)-4-keto-azetidin-1-yl]thio]acetic acid Formula: C16H18BrN3O7S MolecularWeight: 476.29902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(=O)O)SN1C(C(C1=O)N(C2=CC=C(C=C2)O)C(=O)CN)CBr

Isomeric SMILES

CC(=O)OC(C(=O)O)SN1C(C(C1=O)N(C2=CC=C(C=C2)O)C(=O)CN)CBr

InChI

InChI=1S/C16H18BrN3O7S/c1-8(21)27-16(15(25)26)28-20-11(6-17)13(14(20)24)19(12(23)7-18)9-2-4-10(22)5-3-9/h2-5,11,13,16,22H,6-7,18H2,1H3,(H,25,26)