(4-nitrophenyl)methyl 3-(acetyloxymethyl)-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(acetyloxymethyl)-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(acetoxymethyl)-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-6-[2-[(4-nitrophenyl)methoxy-oxomethoxy]ethyl]-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-(acetyloxymethyl)-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-keto-6-[2-(4-nitrobenzyl)oxycarbonyloxyethyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C26H23N3O12S MolecularWeight: 601.53872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(S1)C(C2=O)CCOC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(S1)C(C2=O)CCOC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O12S/c1-15(30)39-14-21-22(25(32)40-12-16-2-6-18(7-3-16)28(34)35)27-23(31)20(24(27)42-21)10-11-38-26(33)41-13-17-4-8-19(9-5-17)29(36)37/h2-9,20,24H,10-14H2,1H3