4-ethyl-7,7-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 4-ethyl-7,7-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 4-ethyl-7,7-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 4-ethyl-7,7-dimethyl-2-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 4-ethyl-7,7-dimethyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 4-ethyl-5-keto-2-[[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]thio]-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=C(NC4=CC=CC=C43)C)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=C(NC4=CC=CC=C43)C)C#N

InChI

InChI=1S/C25H25N3O2S/c1-5-15-17(12-26)24(28-19-10-25(3,4)11-20(29)23(15)19)31-13-21(30)22-14(2)27-18-9-7-6-8-16(18)22/h6-9,27H,5,10-11,13H2,1-4H3