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

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-[oxidanyl(quinolin-3-yl)methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Openeye Name: 6-[hydroxy(3-quinolyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile CAS Name: 6-[hydroxy(3-quinolinyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile IUPAC Name: 6-[hydroxy(quinolin-3-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Traditional Name: 6-[hydroxy(3-quinolyl)methyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C3=CC4=CC=CC=C4N=C3)O)C#N)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C3=CC4=CC=CC=C4N=C3)O)C#N)C

InChI

InChI=1S/C18H17N3O2S/c1-18(2)13(8-19)21-16(23)14(17(21)24-18)15(22)11-7-10-5-3-4-6-12(10)20-9-11/h3-7,9,13-15,17,22H,1-2H3