2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-6,7-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-6,7-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-6,7-dimethylquinoline-3-carbonitrile Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-6,7-dimethyl-quinoline-3-carbonitrile Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4)C#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4)C#N)C

InChI

InChI=1S/C22H18N2O3S/c1-13-7-16-9-17(11-23)22(24-18(16)8-14(13)2)28-12-19(25)15-3-4-20-21(10-15)27-6-5-26-20/h3-4,7-10H,5-6,12H2,1-2H3