(4R,4aR)-4,7,7-trimethyl-2-methylsulfanyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4R,4aR)-4,7,7-trimethyl-2-methylsulfanyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4R,4aR)-4,7,7-trimethyl-2-methylsulfanyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4R,4aR)-4,7,7-trimethyl-2-(methylthio)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4R,4aR)-4,7,7-trimethyl-2-methylsulfanyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4R,4aR)-5-keto-4,7,7-trimethyl-2-(methylthio)-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C14H18N2OS MolecularWeight: 262.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(=NC(=C1C#N)SC)CC(CC2=O)(C)C

Isomeric SMILES

C[C@@H]1[C@@H]2C(=NC(=C1C#N)SC)CC(CC2=O)(C)C

InChI

InChI=1S/C14H18N2OS/c1-8-9(7-15)13(18-4)16-10-5-14(2,3)6-11(17)12(8)10/h8,12H,5-6H2,1-4H3/t8-,12+/m0/s1