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

Systemtic Name: 5-ethanoyl-2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(5-ethoxy-2-methyl-coumaran-6-yl)methylthio]-6-methyl-nicotinonitrile Formula: C21H22N2O3S MolecularWeight: 382.47598

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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(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-5-25-19-8-15-6-12(2)26-20(15)9-17(19)11-27-21-16(10-22)7-18(14(4)24)13(3)23-21/h7-9,12H,5-6,11H2,1-4H3