(4-nitrophenyl)methyl (6Z)-6-ethylidene-3-ethylsulfinyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (6Z)-6-ethylidene-3-ethylsulfinyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (6Z)-6-ethylidene-3-ethylsulfinyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (6Z)-6-ethylidene-3-ethylsulfinyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (6Z)-6-ethylidene-3-ethylsulfinyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (6Z)-6-ethylidene-3-ethylsulfinyl-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H16N2O6S2 MolecularWeight: 408.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=C(N2C(S1)C(=CC)C2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)C1=C(N2C(S1)/C(=C\C)/C2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S2/c1-3-12-14(20)18-13(17(26-15(12)18)27(24)4-2)16(21)25-9-10-5-7-11(8-6-10)19(22)23/h3,5-8,15H,4,9H2,1-2H3/b12-3-