(5-ethanoyl-2-ethoxy-phenyl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H19NO4S/c1-4-22-16-8-7-13(12(2)20)10-14(16)11-23-18(21)15-6-5-9-19-17(15)24-3/h5-10H,4,11H2,1-3H3