(4R,4aS)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-propylsulfanyl-3,4,4a,6-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4R,4aS)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-propylsulfanyl-3,4,4a,6-tetrahydroquinoline-3-carbonitrile Openeye Name: (4R,4aS)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-propylsulfanyl-3,4,4a,6-tetrahydroquinoline-3-carbonitrile CAS Name: (4R,4aS)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-(propylthio)-3,4,4a,6-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4R,4aS)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-propylsulfanyl-3,4,4a,6-tetrahydroquinoline-3-carbonitrile Traditional Name: (4R,4aS)-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-2-(propylthio)-3,4,4a,6-tetrahydroquinoline-3-carbonitrile Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC(CC(=O)C2C(C1C#N)C3=CC=C(C=C3)OC)(C)C

Isomeric SMILES

CCCSC1=NC2=CC(CC(=O)[C@H]2[C@H](C1C#N)C3=CC=C(C=C3)OC)(C)C

InChI

InChI=1S/C22H26N2O2S/c1-5-10-27-21-16(13-23)19(14-6-8-15(26-4)9-7-14)20-17(24-21)11-22(2,3)12-18(20)25/h6-9,11,16,19-20H,5,10,12H2,1-4H3/t16?,19-,20-/m0/s1