7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-8-oxidanylidene-3-([1,2,3,4]tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-8-oxidanylidene-3-([1,2,3,4]tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-tert-butoxy-2-oxo-ethoxy)imino-2-(2-formamidothiazol-4-yl)acetyl]amino]-8-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-formamido-4-thiazolyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-1-oxoethyl]amino]-8-oxo-3-[(6-tetrazolo[1,5-b]pyridazinylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-8-oxo-3-(tetrazolo[1,5-b]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-tert-butoxy-2-keto-ethyl)oximino-2-(2-formamidothiazol-4-yl)acetyl]amino]-8-keto-3-[(tetrazolo[1,5-b]pyridazin-6-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H24N10O8S3 MolecularWeight: 676.70456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CON=C(C1=CSC(=N1)NC=O)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN5C(=NN=N5)C=C4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CO/N=C(\C1=CSC(=N1)NC=O)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN5C(=NN=N5)C=C4)C(=O)O

InChI

InChI=1S/C24H24N10O8S3/c1-24(2,3)42-15(36)6-41-30-16(12-9-45-23(26-12)25-10-35)19(37)27-17-20(38)33-18(22(39)40)11(8-44-21(17)33)7-43-14-5-4-13-28-31-32-34(13)29-14/h4-5,9-10,17,21H,6-8H2,1-3H3,(H,27,37)(H,39,40)(H,25,26,35)/b30-16+