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

Systemtic Name: (4-nitrophenyl)methyl 3-(ethylsulfanylmethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(ethylsulfanylmethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(ethylthio)methyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(ethylsulfanylmethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(ethylthio)methyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(N2C(C1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCSCC1=C(N2C(C1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c1-2-25-10-12-7-14-8-15(20)18(14)16(12)17(21)24-9-11-3-5-13(6-4-11)19(22)23/h3-6,14H,2,7-10H2,1H3