(4-nitrophenyl)methyl 3-(1-azidoethylsulfanylmethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(1-azidoethylsulfanylmethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(1-azidoethylsulfanylmethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(1-azidoethylthio)methyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(1-azidoethylsulfanylmethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(1-azidoethylthio)methyl]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H15N5O5S2 MolecularWeight: 421.4508

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Descriptors Computed from Structure

Canonical SMILES:

CC(N=[N+]=[N-])SCC1=C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(N=[N+]=[N-])SCC1=C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O5S2/c1-9(18-19-17)27-8-12-15(20-13(22)6-14(20)28-12)16(23)26-7-10-2-4-11(5-3-10)21(24)25/h2-5,9,14H,6-8H2,1H3