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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-3-pyridinecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]nicotinic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C28H29NO6S MolecularWeight: 507.59796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(N=CC=C2)SCC3=C(C=CC(=C3)C(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(N=CC=C2)SCC3=C(C=CC(=C3)C(=O)C)OCC

InChI

InChI=1S/C28H29NO6S/c1-5-33-25-11-9-20(18(3)30)14-22(25)16-35-28(32)24-8-7-13-29-27(24)36-17-23-15-21(19(4)31)10-12-26(23)34-6-2/h7-15H,5-6,16-17H2,1-4H3