(4-nitrophenyl)methyl (6R)-4-ethyl-8-oxidanylidene-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (6R)-4-ethyl-8-oxidanylidene-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (6R)-4-ethyl-8-oxo-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R)-4-ethyl-8-oxo-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (6R)-4-ethyl-8-oxo-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R)-4-ethyl-8-keto-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(N2[C@H](S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O5S/c1-2-16-8-12(17-13(19)7-14(17)24-16)15(20)23-9-10-3-5-11(6-4-10)18(21)22/h3-6,8,14H,2,7,9H2,1H3/t14-/m1/s1