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

Systemtic Name: (4-nitrophenyl)methyl 7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-oxo-3-pyrimidin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(2-pyrimidinylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-oxo-3-pyrimidin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(2-pyrimidylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H12N4O5S2 MolecularWeight: 416.43098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(S2)SC3=NC=CC=N3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=C(S2)SC3=NC=CC=N3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O5S2/c22-12-8-13-20(12)14(16(27-13)28-17-18-6-1-7-19-17)15(23)26-9-10-2-4-11(5-3-10)21(24)25/h1-7,13H,8-9H2