2-[4-[2-[ethyl-(4-phenylphenyl)amino]ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[ethyl-(4-phenylphenyl)amino]ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(N-ethyl-4-phenyl-anilino)ethylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[2-(N-ethyl-4-phenylanilino)ethylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[2-(N-ethyl-4-phenylanilino)ethylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[2-(N-ethyl-4-phenyl-anilino)ethylthio]-2-methyl-phenoxy]acetic acid Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H27NO3S/c1-3-26(22-11-9-21(10-12-22)20-7-5-4-6-8-20)15-16-30-23-13-14-24(19(2)17-23)29-18-25(27)28/h4-14,17H,3,15-16,18H2,1-2H3,(H,27,28)