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

Systemtic Name: (7R)-3-(acetyloxymethyl)-7-[[2-[(4-dimethylaminophenyl)diazenyl]phenyl]carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (7R)-3-(acetoxymethyl)-7-[[2-(4-dimethylaminophenyl)azobenzoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (7R)-3-(acetyloxymethyl)-7-[[[2-(4-dimethylaminophenyl)azophenyl]-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (7R)-3-(acetyloxymethyl)-7-[[2-[(4-dimethylaminophenyl)diazenyl]benzoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (7R)-3-(acetoxymethyl)-7-[[2-(4-dimethylaminophenyl)azobenzoyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H25N5O6S MolecularWeight: 523.5609

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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

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

InChI

InChI=1S/C25H25N5O6S/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)/t20-,24?/m1/s1