3,3-dimethyl-6-[[(2-methylphenyl)-diphenyl-methyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile

Systemtic Name: 3,3-dimethyl-6-[[(2-methylphenyl)-diphenyl-methyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Openeye Name: 3,3-dimethyl-6-[[o-tolyl(diphenyl)methyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile CAS Name: 3,3-dimethyl-6-[[(2-methylphenyl)-diphenylmethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile IUPAC Name: 3,3-dimethyl-6-[[(2-methylphenyl)-diphenylmethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Traditional Name: 7-keto-3,3-dimethyl-6-[[o-tolyl(diphenyl)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Formula: C28H27N3OS MolecularWeight: 453.59848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4C5N(C4=O)C(C(S5)(C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4C5N(C4=O)C(C(S5)(C)C)C#N

InChI

InChI=1S/C28H27N3OS/c1-19-12-10-11-17-22(19)28(20-13-6-4-7-14-20,21-15-8-5-9-16-21)30-24-25(32)31-23(18-29)27(2,3)33-26(24)31/h4-17,23-24,26,30H,1-3H3