(4S)-4-(3,4-dimethoxyphenyl)-2-ethylsulfanyl-7,7-dimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4S)-4-(3,4-dimethoxyphenyl)-2-ethylsulfanyl-7,7-dimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4S)-4-(3,4-dimethoxyphenyl)-2-ethylsulfanyl-7,7-dimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4S)-4-(3,4-dimethoxyphenyl)-2-(ethylthio)-7,7-dimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4S)-4-(3,4-dimethoxyphenyl)-2-ethylsulfanyl-7,7-dimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4S)-4-(3,4-dimethoxyphenyl)-2-(ethylthio)-5-keto-7,7-dimethyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C2C(=N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

CCSC1=C([C@@H](C2C(=N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)OC)C#N

InChI

InChI=1S/C22H26N2O3S/c1-6-28-21-14(12-23)19(13-7-8-17(26-4)18(9-13)27-5)20-15(24-21)10-22(2,3)11-16(20)25/h7-9,19-20H,6,10-11H2,1-5H3/t19-,20?/m0/s1