(4-nitrophenyl)methyl 6-(1-hydroxyethyl)-7-oxidanylidene-3-(1-pyridin-3-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 6-(1-hydroxyethyl)-7-oxidanylidene-3-(1-pyridin-3-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-(1-hydroxyethyl)-7-oxo-3-[1-(3-pyridyl)ethylsulfanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[1-(3-pyridinyl)ethylthio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-(1-hydroxyethyl)-7-oxo-3-(1-pyridin-3-ylethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[1-(3-pyridyl)ethylthio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C23H23N3O6S MolecularWeight: 469.51022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C)C4=CN=CC=C4)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C)C4=CN=CC=C4)O

InChI

InChI=1S/C23H23N3O6S/c1-13(27)20-18-10-19(33-14(2)16-4-3-9-24-11-16)21(25(18)22(20)28)23(29)32-12-15-5-7-17(8-6-15)26(30)31/h3-9,11,13-14,18,20,27H,10,12H2,1-2H3