3-acetyloxy-7-[[(2E)-4-bromanyl-2-methoxyimino-3-oxidanylidene-butanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-acetyloxy-7-[[(2E)-4-bromanyl-2-methoxyimino-3-oxidanylidene-butanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-acetoxy-7-[[(2E)-4-bromo-2-methoxyimino-3-oxo-butanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-acetyloxy-7-[[(2E)-4-bromo-2-methoxyimino-1,3-dioxobutyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-acetyloxy-7-[[(2E)-4-bromo-2-methoxyimino-3-oxobutanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-acetoxy-7-[[(2E)-4-bromo-3-keto-2-methyloximino-butanoyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H14BrN3O8S MolecularWeight: 464.24526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C(=O)CBr)SC1)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(N2C(C(C2=O)NC(=O)/C(=N/OC)/C(=O)CBr)SC1)C(=O)O

InChI

InChI=1S/C14H14BrN3O8S/c1-5(19)26-7-4-27-13-9(12(22)18(13)10(7)14(23)24)16-11(21)8(17-25-2)6(20)3-15/h9,13H,3-4H2,1-2H3,(H,16,21)(H,23,24)/b17-8+