methyl 6-[2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethyl]pyridine-3-carboxylate Openeye Name: methyl 6-[2-(2-benzyloxy-5-methylsulfanyl-phenyl)ethyl]pyridine-3-carboxylate CAS Name: 6-[2-[5-(methylthio)-2-phenylmethoxyphenyl]ethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(5-methylsulfanyl-2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-benzoxy-5-(methylthio)phenyl]ethyl]nicotinic acid methyl ester Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)CCC2=C(C=CC(=C2)SC)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)CCC2=C(C=CC(=C2)SC)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23NO3S/c1-26-23(25)19-9-11-20(24-15-19)10-8-18-14-21(28-2)12-13-22(18)27-16-17-6-4-3-5-7-17/h3-7,9,11-15H,8,10,16H2,1-2H3