2-cyano-3-methyl-4-(2-methylphenyl)-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 2-cyano-3-methyl-4-(2-methylphenyl)-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-cyano-3-methyl-4-(o-tolyl)-2-[3-(3-thienylmethoxy)phenoxy]butanoic acid CAS Name: 2-cyano-3-methyl-4-(2-methylphenyl)-2-[3-(3-thiophenylmethoxy)phenoxy]butanoic acid IUPAC Name: 2-cyano-3-methyl-4-(2-methylphenyl)-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 2-cyano-3-methyl-4-(o-tolyl)-2-[3-(3-thenyloxy)phenoxy]butyric acid Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C)C(C#N)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CC(C)C(C#N)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C24H23NO4S/c1-17-6-3-4-7-20(17)12-18(2)24(16-25,23(26)27)29-22-9-5-8-21(13-22)28-14-19-10-11-30-15-19/h3-11,13,15,18H,12,14H2,1-2H3,(H,26,27)