(4R)-2-[(1R)-cyclohex-2-en-1-yl]sulfanyl-7,7-dimethyl-5-oxidanylidene-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4R)-2-[(1R)-cyclohex-2-en-1-yl]sulfanyl-7,7-dimethyl-5-oxidanylidene-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4R)-2-[(1R)-cyclohex-2-en-1-yl]sulfanyl-7,7-dimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4R)-2-[[(1R)-1-cyclohex-2-enyl]thio]-7,7-dimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4R)-2-[(1R)-cyclohex-2-en-1-yl]sulfanyl-7,7-dimethyl-5-oxo-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4R)-2-[[(1R)-cyclohex-2-en-1-yl]thio]-5-keto-7,7-dimethyl-4-phenyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C24H26N2OS MolecularWeight: 390.54104

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=C(C(C2C(=O)C1)C3=CC=CC=C3)C#N)SC4CCCC=C4)C

Isomeric SMILES

CC1(CC2=NC(=C([C@H](C2C(=O)C1)C3=CC=CC=C3)C#N)S[C@@H]4CCCC=C4)C

InChI

InChI=1S/C24H26N2OS/c1-24(2)13-19-22(20(27)14-24)21(16-9-5-3-6-10-16)18(15-25)23(26-19)28-17-11-7-4-8-12-17/h3,5-7,9-11,17,21-22H,4,8,12-14H2,1-2H3/t17-,21+,22?/m0/s1