7-[[(2E)-4-bromanyl-2-methoxyimino-3-oxidanylidene-butanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-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-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-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-[(1-methyltetrazol-5-yl)sulfanylmethyl]-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-[[(1-methyl-5-tetrazolyl)thio]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-[(1-methyltetrazol-5-yl)sulfanylmethyl]-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-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16BrN7O6S2 MolecularWeight: 534.36484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C(=O)CBr)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC)/C(=O)CBr)SC2)C(=O)O

InChI

InChI=1S/C15H16BrN7O6S2/c1-22-15(18-20-21-22)31-5-6-4-30-13-9(12(26)23(13)10(6)14(27)28)17-11(25)8(19-29-2)7(24)3-16/h9,13H,3-5H2,1-2H3,(H,17,25)(H,27,28)/b19-8+