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

Systemtic Name: (4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-(1,3-thiazol-5-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-thiazol-5-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(5-thiazolyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(1,3-thiazol-5-yl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-thiazol-5-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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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-])C4=CN=CS4)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-])C4=CN=CS4)O

InChI

InChI=1S/C19H17N3O6S/c1-10(23)16-14-6-13(15-7-20-9-29-15)17(21(14)18(16)24)19(25)28-8-11-2-4-12(5-3-11)22(26)27/h2-5,7,9-10,14,16,23H,6,8H2,1H3/t10-,14-,16-/m1/s1