3,3-dimethyl-7-oxidanylidene-N-[(4-phenylmethoxyphenyl)methyl]-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-N-[(4-phenylmethoxyphenyl)methyl]-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide Openeye Name: N-[(4-benzyloxyphenyl)methyl]-3,3-dimethyl-7-oxo-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide CAS Name: 3,3-dimethyl-7-oxo-N-[(4-phenylmethoxyphenyl)methyl]-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide IUPAC Name: 3,3-dimethyl-7-oxo-N-[(4-phenylmethoxyphenyl)methyl]-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide Traditional Name: N-(4-benzoxybenzyl)-7-keto-3,3-dimethyl-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide Formula: C41H39N3O3S MolecularWeight: 653.83166

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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)NCC6=CC=C(C=C6)OCC7=CC=CC=C7)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)NCC6=CC=C(C=C6)OCC7=CC=CC=C7)C

InChI

InChI=1S/C41H39N3O3S/c1-40(2)36(37(45)42-27-29-23-25-34(26-24-29)47-28-30-15-7-3-8-16-30)44-38(46)35(39(44)48-40)43-41(31-17-9-4-10-18-31,32-19-11-5-12-20-32)33-21-13-6-14-22-33/h3-26,35-36,39,43H,27-28H2,1-2H3,(H,42,45)