(4-nitrophenyl)methyl 3-ethylsulfanyl-7-oxidanylidene-3-phenylmethoxycarbonyloxy-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-6-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-ethylsulfanyl-7-oxidanylidene-3-phenylmethoxycarbonyloxy-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-6-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-benzyloxycarbonyloxy-3-ethylsulfanyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-6-carboxylate CAS Name: 3-(ethylthio)-7-oxo-3-phenylmethoxycarbonyloxy-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-6-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-ethylsulfanyl-7-oxo-3-phenylmethoxycarbonyloxy-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-6-carboxylate Traditional Name: 3-carbobenzoxyoxy-3-(ethylthio)-7-keto-4-thia-1-azoniabicyclo[3.2.0]hept-1-ene-6-carboxylic acid (4-nitrobenzyl) ester Formula: C23H21N2O8S2+ MolecularWeight: 517.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1(C=[N+]2C(S1)C(C2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCSC1(C=[N+]2C(S1)C(C2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21N2O8S2/c1-2-34-23(33-22(28)32-13-15-6-4-3-5-7-15)14-24-19(26)18(20(24)35-23)21(27)31-12-16-8-10-17(11-9-16)25(29)30/h3-11,14,18,20H,2,12-13H2,1H3/q+1