sodium (7R)-3-(acetyloxymethyl)-7-[[2-[(4-dimethylaminophenyl)diazenyl]phenyl]carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (7R)-3-(acetyloxymethyl)-7-[[2-[(4-dimethylaminophenyl)diazenyl]phenyl]carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (7R)-3-(acetoxymethyl)-7-[[2-(4-dimethylaminophenyl)azobenzoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (7R)-3-(acetyloxymethyl)-7-[[[2-(4-dimethylaminophenyl)azophenyl]-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (7R)-3-(acetyloxymethyl)-7-[[2-[(4-dimethylaminophenyl)diazenyl]benzoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (7R)-3-(acetoxymethyl)-7-[[2-(4-dimethylaminophenyl)azobenzoyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C25H24N5NaO6S MolecularWeight: 545.54273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=CC=CC=C3N=NC4=CC=C(C=C4)N(C)C)SC1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OCC1=C(N2C([C@@H](C2=O)NC(=O)C3=CC=CC=C3N=NC4=CC=C(C=C4)N(C)C)SC1)C(=O)[O-].[Na+]

InChI

InChI=1S/C25H25N5O6S.Na/c1-14(31)36-12-15-13-37-24-20(23(33)30(24)21(15)25(34)35)26-22(32)18-6-4-5-7-19(18)28-27-16-8-10-17(11-9-16)29(2)3;/h4-11,20,24H,12-13H2,1-3H3,(H,26,32)(H,34,35);/q;+1/p-1/t20-,24?;/m1./s1