2-acetyloxy-2-[2-(bromomethyl)-3-[(2,6-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-azetidin-1-yl]sulfanyl-ethanoic acid

Systemtic Name: 2-acetyloxy-2-[2-(bromomethyl)-3-[(2,6-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-azetidin-1-yl]sulfanyl-ethanoic acid Openeye Name: 2-acetoxy-2-[2-(bromomethyl)-3-[(2,6-dimethoxybenzoyl)amino]-4-oxo-azetidin-1-yl]sulfanyl-acetic acid CAS Name: 2-acetyloxy-2-[[2-(bromomethyl)-3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-4-oxo-1-azetidinyl]thio]acetic acid IUPAC Name: 2-acetyloxy-2-[2-(bromomethyl)-3-[(2,6-dimethoxybenzoyl)amino]-4-oxoazetidin-1-yl]sulfanylacetic acid Traditional Name: 2-acetoxy-2-[[2-(bromomethyl)-3-[(2,6-dimethoxybenzoyl)amino]-4-keto-azetidin-1-yl]thio]acetic acid Formula: C17H19BrN2O8S MolecularWeight: 491.31036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(=O)O)SN1C(C(C1=O)NC(=O)C2=C(C=CC=C2OC)OC)CBr

Isomeric SMILES

CC(=O)OC(C(=O)O)SN1C(C(C1=O)NC(=O)C2=C(C=CC=C2OC)OC)CBr

InChI

InChI=1S/C17H19BrN2O8S/c1-8(21)28-17(16(24)25)29-20-9(7-18)13(15(20)23)19-14(22)12-10(26-2)5-4-6-11(12)27-3/h4-6,9,13,17H,7H2,1-3H3,(H,19,22)(H,24,25)