2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylthio)-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylthio)-4-ethyl-5-keto-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC3=CC4=C(C=C3)OCCO4)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC3=CC4=C(C=C3)OCCO4)C#N

InChI

InChI=1S/C23H24N2O3S/c1-4-15-16(12-24)22(25-17-10-23(2,3)11-18(26)21(15)17)29-13-14-5-6-19-20(9-14)28-8-7-27-19/h5-6,9H,4,7-8,10-11,13H2,1-3H3