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

Systemtic Name: 6-[(4-dimethylaminophenyl)-oxidanyl-methyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Openeye Name: 6-[(4-dimethylaminophenyl)-hydroxy-methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile CAS Name: 6-[(4-dimethylaminophenyl)-hydroxymethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile IUPAC Name: 6-[(4-dimethylaminophenyl)-hydroxymethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Traditional Name: 6-[(4-dimethylaminophenyl)-hydroxy-methyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-17(2)12(9-18)20-15(22)13(16(20)23-17)14(21)10-5-7-11(8-6-10)19(3)4/h5-8,12-14,16,21H,1-4H3