7-[[2-[(4-bromanyl-3-oxidanyl-phenyl)methoxyamino]-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethanoyl]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-[[2-[(4-bromanyl-3-oxidanyl-phenyl)methoxyamino]-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethanoyl]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-[[2-[(4-bromo-3-hydroxy-phenyl)methoxyamino]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)acetyl]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-[[2-[(4-bromo-3-hydroxyphenyl)methoxyamino]-1-oxo-2-(4-oxo-1-cyclohexa-2,5-dienylidene)ethyl]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-[[2-[(4-bromo-3-hydroxyphenyl)methoxyamino]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)acetyl]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-[[2-[(4-bromo-3-hydroxy-benzyl)oxyamino]-2-(4-ketocyclohexa-2,5-dien-1-ylidene)acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H22BrN7O7S2 MolecularWeight: 676.51888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=C4C=CC(=O)C=C4)NOCC5=CC(=C(C=C5)Br)O)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=C4C=CC(=O)C=C4)NOCC5=CC(=C(C=C5)Br)O)SC2)C(=O)O

InChI

InChI=1S/C25H22BrN7O7S2/c1-32-25(28-30-31-32)42-11-14-10-41-23-19(22(37)33(23)20(14)24(38)39)27-21(36)18(13-3-5-15(34)6-4-13)29-40-9-12-2-7-16(26)17(35)8-12/h2-8,19,23,29,35H,9-11H2,1H3,(H,27,36)(H,38,39)