4-ethyl-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 4-ethyl-7,7-dimethyl-5-oxidanylidene-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 4-ethyl-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile CAS Name: 4-ethyl-7,7-dimethyl-5-oxo-2-(phenacylthio)-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 4-ethyl-7,7-dimethyl-5-oxo-2-phenacylsulfanyl-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 4-ethyl-5-keto-7,7-dimethyl-2-(phenacylthio)-6,8-dihydroquinoline-3-carbonitrile Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H22N2O2S/c1-4-15-16(12-23)21(27-13-19(26)14-8-6-5-7-9-14)24-17-10-22(2,3)11-18(25)20(15)17/h5-9H,4,10-11,13H2,1-3H3