2-[[3-cyano-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[3-cyano-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[3-cyano-7,7-dimethyl-4-(5-methyl-2-furyl)-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[3-cyano-7,7-dimethyl-4-(5-methyl-2-furanyl)-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[3-cyano-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[3-cyano-5-keto-7,7-dimethyl-4-(5-methyl-2-furyl)-1,4,6,8-tetrahydroquinolin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(=C(NC3=C2C(=O)CC(C3)(C)C)SCC(=O)NC4CCCCC4)C#N

Isomeric SMILES

CC1=CC=C(O1)C2C(=C(NC3=C2C(=O)CC(C3)(C)C)SCC(=O)NC4CCCCC4)C#N

InChI

InChI=1S/C25H31N3O3S/c1-15-9-10-20(31-15)22-17(13-26)24(28-18-11-25(2,3)12-19(29)23(18)22)32-14-21(30)27-16-7-5-4-6-8-16/h9-10,16,22,28H,4-8,11-12,14H2,1-3H3,(H,27,30)