4-(2-cyanophenyl)-2-[2-ethanoyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 4-(2-cyanophenyl)-2-[2-ethanoyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-[2-acetyl-5-(3-thienylmethoxy)phenoxy]-4-(2-cyanophenyl)butanoic acid CAS Name: 2-[2-acetyl-5-(3-thiophenylmethoxy)phenoxy]-4-(2-cyanophenyl)butanoic acid IUPAC Name: 2-[2-acetyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-cyanophenyl)butanoic acid Traditional Name: 2-[2-acetyl-5-(3-thenyloxy)phenoxy]-4-(2-cyanophenyl)butyric acid Formula: C24H21NO5S MolecularWeight: 435.49224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)OC(CCC3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)OC(CCC3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C24H21NO5S/c1-16(26)21-8-7-20(29-14-17-10-11-31-15-17)12-23(21)30-22(24(27)28)9-6-18-4-2-3-5-19(18)13-25/h2-5,7-8,10-12,15,22H,6,9,14H2,1H3,(H,27,28)