[(E)-3-[7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethyl-(1,3,4-oxadiazol-2-ylmethyl)azanium

Systemtic Name: [(E)-3-[7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethyl-(1,3,4-oxadiazol-2-ylmethyl)azanium Openeye Name: [(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-dimethyl-(1,3,4-oxadiazol-2-ylmethyl)ammonium CAS Name: [(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethyl-(1,3,4-oxadiazol-2-ylmethyl)ammonium IUPAC Name: [(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-dimethyl-(1,3,4-oxadiazol-2-ylmethyl)azanium Traditional Name: [(E)-3-[7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethyloximino)acetyl]amino]-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-dimethyl-(1,3,4-oxadiazol-2-ylmethyl)ammonium Formula: C20H23FN9O6S2+ MolecularWeight: 568.581723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCF)C3=NSC(=N3)N)SC1)C(=O)O)CC4=NN=CO4

Isomeric SMILES

C[N+](C)(C/C=C/C1=C(N2C(C(C2=O)NC(=O)/C(=N/OCF)/C3=NSC(=N3)N)SC1)C(=O)O)CC4=NN=CO4

InChI

InChI=1S/C20H22FN9O6S2/c1-30(2,6-11-26-23-9-35-11)5-3-4-10-7-37-18-13(17(32)29(18)14(10)19(33)34)24-16(31)12(27-36-8-21)15-25-20(22)38-28-15/h3-4,9,13,18H,5-8H2,1-2H3,(H3-,22,24,25,28,31,33,34)/p+1/b4-3+,27-12+