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

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-[oxidanyl-(4-phenylmethoxyphenyl)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Openeye Name: 6-[(4-benzyloxyphenyl)-hydroxy-methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile CAS Name: 6-[hydroxy-(4-phenylmethoxyphenyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile IUPAC Name: 6-[hydroxy-(4-phenylmethoxyphenyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Traditional Name: 6-[(4-benzoxyphenyl)-hydroxy-methyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C3=CC=C(C=C3)OCC4=CC=CC=C4)O)C#N)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C3=CC=C(C=C3)OCC4=CC=CC=C4)O)C#N)C

InChI

InChI=1S/C22H22N2O3S/c1-22(2)17(12-23)24-20(26)18(21(24)28-22)19(25)15-8-10-16(11-9-15)27-13-14-6-4-3-5-7-14/h3-11,17-19,21,25H,13H2,1-2H3