5-ethanoyl-2-[3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-2-[3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]thio]-6-methyl-nicotinonitrile Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(COC2=C(C=C(C=C2)C(=O)C)OC)O)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(COC2=C(C=C(C=C2)C(=O)C)OC)O)C#N)C(=O)C

InChI

InChI=1S/C21H22N2O5S/c1-12-18(14(3)25)7-16(9-22)21(23-12)29-11-17(26)10-28-19-6-5-15(13(2)24)8-20(19)27-4/h5-8,17,26H,10-11H2,1-4H3