methyl 2-[4-[3-[ethyl-(4-phenylphenyl)amino]propylsulfanyl]-2-methyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[3-[ethyl-(4-phenylphenyl)amino]propylsulfanyl]-2-methyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[3-(N-ethyl-4-phenyl-anilino)propylsulfanyl]-2-methyl-phenoxy]acetate CAS Name: 2-[4-[3-(N-ethyl-4-phenylanilino)propylthio]-2-methylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-(N-ethyl-4-phenylanilino)propylsulfanyl]-2-methylphenoxy]acetate Traditional Name: 2-[4-[3-(N-ethyl-4-phenyl-anilino)propylthio]-2-methyl-phenoxy]acetic acid methyl ester Formula: C27H31NO3S MolecularWeight: 449.60494

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCSC1=CC(=C(C=C1)OCC(=O)OC)C)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCN(CCCSC1=CC(=C(C=C1)OCC(=O)OC)C)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO3S/c1-4-28(24-13-11-23(12-14-24)22-9-6-5-7-10-22)17-8-18-32-25-15-16-26(21(2)19-25)31-20-27(29)30-3/h5-7,9-16,19H,4,8,17-18,20H2,1-3H3