ethyl 2-(4-ethoxyphenyl)sulfanyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoate

Systemtic Name: ethyl 2-(4-ethoxyphenyl)sulfanyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoate Openeye Name: ethyl 2-(4-ethoxyphenyl)sulfanyl-2-methyl-3-[4-[2-(1-piperidyl)ethoxy]phenyl]propanoate CAS Name: 2-[(4-ethoxyphenyl)thio]-2-methyl-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-(4-ethoxyphenyl)sulfanyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoate Traditional Name: 2-methyl-3-[4-(2-piperidinoethoxy)phenyl]-2-(p-phenetylthio)propionic acid ethyl ester Formula: C27H37NO4S MolecularWeight: 471.65198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC(C)(CC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)SC(C)(CC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)OCC

InChI

InChI=1S/C27H37NO4S/c1-4-30-23-13-15-25(16-14-23)33-27(3,26(29)31-5-2)21-22-9-11-24(12-10-22)32-20-19-28-17-7-6-8-18-28/h9-16H,4-8,17-21H2,1-3H3