(diphenylmethyl) 3,3-dimethyl-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4,7-bis(oxidanylidene)-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (diphenylmethyl) 3,3-dimethyl-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4,7-bis(oxidanylidene)-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzhydryl 3,3-dimethyl-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4,7-dioxo-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-6-[2-[(4-nitrophenyl)methoxy-oxomethoxy]ethyl]-4,7-dioxo-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3,3-dimethyl-6-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-4,7-dioxo-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 4,7-diketo-3,3-dimethyl-6-[2-(4-nitrobenzyl)oxycarbonyloxyethyl]-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester Formula: C31H30N2O9S MolecularWeight: 606.6429

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1=O)C(C2=O)CCOC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(C(N2C(S1=O)C(C2=O)CCOC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H30N2O9S/c1-31(2)26(29(35)42-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22)32-27(34)24(28(32)43(31)39)17-18-40-30(36)41-19-20-13-15-23(16-14-20)33(37)38/h3-16,24-26,28H,17-19H2,1-2H3