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

Systemtic Name: 7-[[(2E)-4-bromanyl-2-methoxyimino-3-oxidanylidene-butanoyl]amino]-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 7-[[(2E)-4-bromo-2-methoxyimino-3-oxo-butanoyl]amino]-3-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 7-[[(2E)-4-bromo-2-methoxyimino-1,3-dioxobutyl]amino]-3-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 7-[[(2E)-4-bromo-2-methoxyimino-3-oxobutanoyl]amino]-3-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 7-[[(2E)-4-bromo-3-keto-2-methyloximino-butanoyl]amino]-3-hydroxy-8-keto-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C12H14BrN3O7S MolecularWeight: 424.22446

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C(=O)CBr)C(=O)NC1C2N(C1=O)C(C(CS2)O)C(=O)O

Isomeric SMILES

CO/N=C(\C(=O)CBr)/C(=O)NC1C2N(C1=O)C(C(CS2)O)C(=O)O

InChI

InChI=1S/C12H14BrN3O7S/c1-23-15-6(4(17)2-13)9(19)14-7-10(20)16-8(12(21)22)5(18)3-24-11(7)16/h5,7-8,11,18H,2-3H2,1H3,(H,14,19)(H,21,22)/b15-6+