2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-4,5,6-trimethyl-nicotinonitrile Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NC(=C(C(=C3C#N)C)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)CSC3=NC(=C(C(=C3C#N)C)C)C

InChI

InChI=1S/C21H24N2O2S/c1-6-24-19-8-16-7-12(2)25-20(16)9-17(19)11-26-21-18(10-22)14(4)13(3)15(5)23-21/h8-9,12H,6-7,11H2,1-5H3