2-[4-[3-methyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]sulfanyl-2-propyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-methyl-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]sulfanyl-2-propyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[4-(2-anilino-2-oxo-ethoxy)-3-methyl-phenyl]sulfanyl-2-propyl-phenoxy]acetic acid CAS Name: 2-[4-[[4-(2-anilino-2-oxoethoxy)-3-methylphenyl]thio]-2-propylphenoxy]acetic acid IUPAC Name: 2-[4-[4-(2-anilino-2-oxoethoxy)-3-methylphenyl]sulfanyl-2-propylphenoxy]acetic acid Traditional Name: 2-[4-[[4-(2-anilino-2-keto-ethoxy)-3-methyl-phenyl]thio]-2-propyl-phenoxy]acetic acid Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)SC2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)C)OCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)SC2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)C)OCC(=O)O

InChI

InChI=1S/C26H27NO5S/c1-3-7-19-15-22(11-13-24(19)32-17-26(29)30)33-21-10-12-23(18(2)14-21)31-16-25(28)27-20-8-5-4-6-9-20/h4-6,8-15H,3,7,16-17H2,1-2H3,(H,27,28)(H,29,30)