2-[4-(diethylamino)-2-ethoxy-phenyl]-2-(4-methylsulfanylphenyl)ethanoic acid

Systemtic Name: 2-[4-(diethylamino)-2-ethoxy-phenyl]-2-(4-methylsulfanylphenyl)ethanoic acid Openeye Name: 2-[4-(diethylamino)-2-ethoxy-phenyl]-2-(4-methylsulfanylphenyl)acetic acid CAS Name: 2-[4-(diethylamino)-2-ethoxyphenyl]-2-[4-(methylthio)phenyl]acetic acid IUPAC Name: 2-[4-(diethylamino)-2-ethoxyphenyl]-2-(4-methylsulfanylphenyl)acetic acid Traditional Name: 2-[4-(diethylamino)-2-ethoxy-phenyl]-2-[4-(methylthio)phenyl]acetic acid Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(C2=CC=C(C=C2)SC)C(=O)O)OCC

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C(C2=CC=C(C=C2)SC)C(=O)O)OCC

InChI

InChI=1S/C21H27NO3S/c1-5-22(6-2)16-10-13-18(19(14-16)25-7-3)20(21(23)24)15-8-11-17(26-4)12-9-15/h8-14,20H,5-7H2,1-4H3,(H,23,24)