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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-4-ethyl-5-keto-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C23H22N2O4S MolecularWeight: 422.49678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC(=O)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C23H22N2O4S/c1-4-14-15(10-24)22(25-16-8-23(2,3)9-17(26)21(14)16)30-11-18(27)13-5-6-19-20(7-13)29-12-28-19/h5-7H,4,8-9,11-12H2,1-3H3