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

Systemtic Name: (4-nitrophenyl)methyl 6,6-dimethyl-7-oxidanylidene-3-pyridin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6,6-dimethyl-7-oxo-3-(2-pyridylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6,6-dimethyl-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 6,6-dimethyl-7-oxo-3-pyridin-2-ylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-6,6-dimethyl-3-(2-pyridylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2N(C1=O)C(=C(S2)SC3=CC=CC=N3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(C2N(C1=O)C(=C(S2)SC3=CC=CC=N3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H17N3O5S2/c1-20(2)18(25)22-15(17(30-19(20)22)29-14-5-3-4-10-21-14)16(24)28-11-12-6-8-13(9-7-12)23(26)27/h3-10,19H,11H2,1-2H3