3-(4-cyanophenoxy)-7-oxidanylidene-6-[1-(phenylcarbonyloxy)ethyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(4-cyanophenoxy)-7-oxidanylidene-6-[1-(phenylcarbonyloxy)ethyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-benzoyloxyethyl)-3-(4-cyanophenoxy)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-benzoyloxyethyl)-3-(4-cyanophenoxy)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-benzoyloxyethyl)-3-(4-cyanophenoxy)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-benzoyloxyethyl)-3-(4-cyanophenoxy)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C22H16N2O6S MolecularWeight: 436.43724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)OC3=CC=C(C=C3)C#N)C(=O)O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)OC3=CC=C(C=C3)C#N)C(=O)O)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H16N2O6S/c1-12(29-21(28)14-5-3-2-4-6-14)16-18(25)24-17(20(26)27)22(31-19(16)24)30-15-9-7-13(11-23)8-10-15/h2-10,12,16,19H,1H3,(H,26,27)