2-[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]-3,3-dimethyl-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-7-one

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]-3,3-dimethyl-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-7-one Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-yl]-3,3-dimethyl-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptan-7-one CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-5-tetrazolyl]-3,3-dimethyl-6-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-7-one IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-yl]-3,3-dimethyl-6-(tritylamino)-4-thia-1-azabicyclo[3.2.0]heptan-7-one Traditional Name: 3,3-dimethyl-6-(tritylamino)-2-(1-veratryltetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one Formula: C36H36N6O3S MolecularWeight: 632.77444

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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)C6=NN=NN6CC7=CC(=C(C=C7)OC)OC)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=NN=NN6CC7=CC(=C(C=C7)OC)OC)C

InChI

InChI=1S/C36H36N6O3S/c1-35(2)31(32-38-39-40-41(32)23-24-20-21-28(44-3)29(22-24)45-4)42-33(43)30(34(42)46-35)37-36(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-22,30-31,34,37H,23H2,1-4H3