2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-8-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-8-methyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-8-methyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-8-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-8-methylquinoline-3-carbonitrile Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-8-methyl-quinoline-3-carbonitrile Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H16N2O3S/c1-13-3-2-4-15-9-16(11-22)21(23-20(13)15)27-12-17(24)14-5-6-18-19(10-14)26-8-7-25-18/h2-6,9-10H,7-8,12H2,1H3