(4-nitrophenyl)methyl 3-(4-methylsulfanylphenoxy)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(4-methylsulfanylphenoxy)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(4-methylsulfanylphenoxy)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[4-(methylthio)phenoxy]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(4-methylsulfanylphenoxy)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-[4-(methylthio)phenoxy]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H16N2O6S2 MolecularWeight: 444.48084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC2=C(N3C(S2)CC3=O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)OC2=C(N3C(S2)CC3=O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O6S2/c1-29-15-8-6-14(7-9-15)28-20-18(21-16(23)10-17(21)30-20)19(24)27-11-12-2-4-13(5-3-12)22(25)26/h2-9,17H,10-11H2,1H3