2-(4-butoxyphenyl)sulfanyl-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-(4-butoxyphenyl)sulfanyl-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methyl-propanoic acid Openeye Name: 2-(4-butoxyphenyl)sulfanyl-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methyl-propanoic acid CAS Name: 2-[(4-butoxyphenyl)thio]-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methylpropanoic acid IUPAC Name: 2-(4-butoxyphenyl)sulfanyl-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methylpropanoic acid Traditional Name: 2-[(4-butoxyphenyl)thio]-3-[4-(2-diethylaminoethyloxy)phenyl]-2-methyl-propionic acid Formula: C26H37NO4S MolecularWeight: 459.64128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO4S/c1-5-8-18-30-23-13-15-24(16-14-23)32-26(4,25(28)29)20-21-9-11-22(12-10-21)31-19-17-27(6-2)7-3/h9-16H,5-8,17-20H2,1-4H3,(H,28,29)