methyl 6-[1-(4-ethanoyl-2-propyl-phenoxy)-3-oxidanyl-propyl]sulfanylpyridine-3-carboxylate

Systemtic Name: methyl 6-[1-(4-ethanoyl-2-propyl-phenoxy)-3-oxidanyl-propyl]sulfanylpyridine-3-carboxylate Openeye Name: methyl 6-[1-(4-acetyl-2-propyl-phenoxy)-3-hydroxy-propyl]sulfanylpyridine-3-carboxylate CAS Name: 6-[[1-(4-acetyl-2-propylphenoxy)-3-hydroxypropyl]thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[1-(4-acetyl-2-propylphenoxy)-3-hydroxypropyl]sulfanylpyridine-3-carboxylate Traditional Name: 6-[[1-(4-acetyl-2-propyl-phenoxy)-3-hydroxy-propyl]thio]nicotinic acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)C)OC(CCO)SC2=NC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)C)OC(CCO)SC2=NC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25NO5S/c1-4-5-16-12-15(14(2)24)6-8-18(16)27-20(10-11-23)28-19-9-7-17(13-22-19)21(25)26-3/h6-9,12-13,20,23H,4-5,10-11H2,1-3H3