7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-8-oxidanylidene-3-(3H-1,2,3-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-8-oxidanylidene-3-(3H-1,2,3-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-tert-butoxy-2-oxo-ethoxy)imino-acetyl]amino]-8-oxo-3-(3H-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-1-oxoethyl]amino]-8-oxo-3-[(3H-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-8-oxo-3-(3H-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-tert-butoxy-2-keto-ethyl)oximino-acetyl]amino]-8-keto-3-[(3H-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H24N8O7S4 MolecularWeight: 616.71396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSN4NC=CS4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CO/N=C(\C1=NSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSN4NC=CS4)C(=O)O

InChI

InChI=1S/C20H24N8O7S4/c1-20(2,3)35-10(29)6-34-25-11(14-24-19(21)39-26-14)15(30)23-12-16(31)27-13(18(32)33)9(7-36-17(12)27)8-38-28-22-4-5-37-28/h4-5,12,17,22H,6-8H2,1-3H3,(H,23,30)(H,32,33)(H2,21,24,26)/b25-11+