(phenylmethyl) 3,3-dimethyl-7-oxidanylidene-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 3,3-dimethyl-7-oxidanylidene-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3,3-dimethyl-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,3-dimethyl-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C34H32N2O3S MolecularWeight: 548.69448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)C

InChI

InChI=1S/C34H32N2O3S/c1-33(2)29(32(38)39-23-24-15-7-3-8-16-24)36-30(37)28(31(36)40-33)35-34(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22,28-29,31,35H,23H2,1-2H3