(4-nitrophenyl)methyl (5S,6R)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(1R)-1-pyridin-2-ylethyl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (5S,6R)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(1R)-1-pyridin-2-ylethyl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (5S,6R)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R)-1-(2-pyridyl)ethyl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5S,6R)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[[(1R)-1-(2-pyridinyl)ethyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (5S,6R)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R)-1-pyridin-2-ylethyl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5S,6R)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[[(1R)-1-(2-pyridyl)ethyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C)C4=CC=CC=N4)O

Isomeric SMILES

C[C@H]([C@H]1[C@@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S[C@H](C)C4=CC=CC=N4)O

InChI

InChI=1S/C23H23N3O6S/c1-13(27)20-18-11-19(33-14(2)17-5-3-4-10-24-17)21(25(18)22(20)28)23(29)32-12-15-6-8-16(9-7-15)26(30)31/h3-10,13-14,18,20,27H,11-12H2,1-2H3/t13-,14-,18+,20+/m1/s1