(4-nitrophenyl)methyl (6E)-6-ethylidene-7-oxidanylidene-3-pyridin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (6E)-6-ethylidene-7-oxidanylidene-3-pyridin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (6E)-6-ethylidene-7-oxo-3-(2-pyridylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (6E)-6-ethylidene-7-oxo-3-(2-pyridinylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (6E)-6-ethylidene-7-oxo-3-pyridin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (6E)-6-ethylidene-7-keto-3-(2-pyridylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H15N3O5S2 MolecularWeight: 441.4802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C\1/C2N(C1=O)C(=C(S2)SC3=CC=CC=N3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S2/c1-2-14-17(24)22-16(20(30-18(14)22)29-15-5-3-4-10-21-15)19(25)28-11-12-6-8-13(9-7-12)23(26)27/h2-10,18H,11H2,1H3/b14-2+