2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C24H25N3O4S/c1-15-11-16(2)26-24(19(15)13-25)32-14-22(28)27-7-5-17(6-8-27)23(29)18-3-4-20-21(12-18)31-10-9-30-20/h3-4,11-12,17H,5-10,14H2,1-2H3