(4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-2-(2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-2-(2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-acetyl]amino]-3-[(E)-2-(2,2-dimethylisoxazolidin-2-ium-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-1-oxoethyl]amino]-3-[(E)-2-(2,2-dimethyl-5-isoxazolidin-2-iumyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-(2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methyloximino-acetyl]amino]-3-[(E)-2-(2,2-dimethylisoxazolidin-2-ium-5-yl)vinyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C27H32N7O7S2+ MolecularWeight: 630.71568

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(O1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=NSC(=N4)N)SC2)C(=O)OCC5=CC=C(C=C5)OC)C

Isomeric SMILES

C[N+]1(CCC(O1)/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=NSC(=N4)N)SC2)C(=O)OCC5=CC=C(C=C5)OC)C

InChI

InChI=1S/C27H31N7O7S2/c1-34(2)12-11-18(41-34)10-7-16-14-42-25-20(29-23(35)19(31-39-4)22-30-27(28)43-32-22)24(36)33(25)21(16)26(37)40-13-15-5-8-17(38-3)9-6-15/h5-10,18,20,25H,11-14H2,1-4H3,(H2-,28,29,30,32,35)/p+1/b10-7+,31-19-/t18?,20-,25-/m1/s1