(2-azanyl-2-oxidanylidene-ethyl)-[(E)-3-[(6R,7R)-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-ethyl-methyl-azanium iodide

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[(E)-3-[(6R,7R)-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-(fluoranylmethoxyimino)ethanoyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-ethyl-methyl-azanium iodide Openeye Name: (2-amino-2-oxo-ethyl)-[(E)-3-[(6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-ethyl-methyl-ammonium iodide CAS Name: (2-amino-2-oxoethyl)-[(E)-3-[(6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)-1-oxoethyl]amino]-2-[(4-methoxyphenyl)methoxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-ethyl-methylammonium iodide IUPAC Name: (2-amino-2-oxoethyl)-[(E)-3-[(6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-2-[(4-methoxyphenyl)methoxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]prop-2-enyl]-ethyl-methylazanium iodide Traditional Name: (2-amino-2-keto-ethyl)-[(E)-3-[(6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethyloximino)acetyl]amino]-8-keto-2-p-anisyloxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]allyl]-ethyl-methyl-ammonium iodide Formula: C28H34FIN8O7S2 MolecularWeight: 806.644375

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCF)C3=NSC(=N3)N)SC1)C(=O)OCC4=CC=C(C=C4)OC)CC(=O)N.[I-]

Isomeric SMILES

CC[N+](C)(C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OCF)/C3=NSC(=N3)N)SC1)C(=O)OCC4=CC=C(C=C4)OC)C[14C](=O)N.[I-]

InChI

InChI=1S/C28H33FN8O7S2.HI/c1-4-37(2,12-19(30)38)11-5-6-17-14-45-26-21(32-24(39)20(34-44-15-29)23-33-28(31)46-35-23)25(40)36(26)22(17)27(41)43-13-16-7-9-18(42-3)10-8-16;/h5-10,21,26H,4,11-15H2,1-3H3,(H4-,30,31,32,33,35,38,39);1H/b6-5+,34-20+;/t21-,26-,37?;/m1./s1/i19+2;