(5-ethanoyl-2-methoxy-phenyl)methyl 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-pyridinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]nicotinic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(N=CC=C2)SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(N=CC=C2)SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C26H25NO6S/c1-16(28)18-7-9-23(31-3)20(12-18)14-33-26(30)22-6-5-11-27-25(22)34-15-21-13-19(17(2)29)8-10-24(21)32-4/h5-13H,14-15H2,1-4H3