ethyl 2-(4-butoxyphenyl)sulfanyl-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methyl-propanoate

Systemtic Name: ethyl 2-(4-butoxyphenyl)sulfanyl-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methyl-propanoate Openeye Name: ethyl 2-(4-butoxyphenyl)sulfanyl-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methyl-propanoate CAS Name: 2-[(4-butoxyphenyl)thio]-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(4-butoxyphenyl)sulfanyl-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methylpropanoate Traditional Name: 2-[(4-butoxyphenyl)thio]-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methyl-propionic acid ethyl ester Formula: C28H41NO4S MolecularWeight: 487.69444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)SC(C)(CC2=CC=C(C=C2)OCCN(CC)CC)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SC(C)(CC2=CC=C(C=C2)OCCN(CC)CC)C(=O)OCC

InChI

InChI=1S/C28H41NO4S/c1-6-10-20-32-25-15-17-26(18-16-25)34-28(5,27(30)31-9-4)22-23-11-13-24(14-12-23)33-21-19-29(7-2)8-3/h11-18H,6-10,19-22H2,1-5H3