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

Systemtic Name: 7-[[(2E)-4-bromanyl-2-methoxyimino-3-oxidanylidene-butanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-4-bromo-2-methoxyimino-3-oxo-butanoyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-4-bromo-2-methoxyimino-1,3-dioxobutyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-4-bromo-2-methoxyimino-3-oxobutanoyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-4-bromo-3-keto-2-methyloximino-butanoyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H14BrN3O6S MolecularWeight: 420.23576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C(=O)CBr)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)/C(=N/OC)/C(=O)CBr)SC1)C(=O)O

InChI

InChI=1S/C13H14BrN3O6S/c1-5-4-24-12-8(11(20)17(12)9(5)13(21)22)15-10(19)7(16-23-2)6(18)3-14/h8,12H,3-4H2,1-2H3,(H,15,19)(H,21,22)/b16-7+