(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[3-(cyanomethyl)benzotriazol-1-ium-1-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[3-(cyanomethyl)benzotriazol-1-ium-1-yl]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[[3-(cyanomethyl)benzotriazol-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[3-(cyanomethyl)-1-benzotriazol-1-iumyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[3-(cyanomethyl)benzotriazol-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-3-[[3-(cyanomethyl)benzotriazol-1-ium-1-yl]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C22H19N9O5S2 MolecularWeight: 553.57356

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=NN(C5=CC=CC=C54)CC#N)C(=O)[O-]

Isomeric SMILES

CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=NN(C5=CC=CC=C54)CC#N)C(=O)[O-]

InChI

InChI=1S/C22H19N9O5S2/c1-36-27-15(12-10-38-22(24)25-12)18(32)26-16-19(33)31-17(21(34)35)11(9-37-20(16)31)8-30-14-5-3-2-4-13(14)29(28-30)7-6-23/h2-5,10,16,20H,7-9H2,1H3,(H3-,24,25,26,32,34,35)/b27-15-/t16-,20-/m1/s1