ethyl 4-[2-cyano-3-methyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate

Systemtic Name: ethyl 4-[2-cyano-3-methyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: ethyl 4-[2-cyano-3-methyl-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-cyano-3-methyl-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-cyano-3-methyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-[2-cyano-3-methyl-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid ethyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC=CC=C1C)OC2=C(C(=CC(=C2)OCC3=CSC=C3)C)C#N

Isomeric SMILES

CCOC(=O)CCC(C1=CC=CC=C1C)OC2=C(C(=CC(=C2)OCC3=CSC=C3)C)C#N

InChI

InChI=1S/C26H27NO4S/c1-4-29-26(28)10-9-24(22-8-6-5-7-18(22)2)31-25-14-21(13-19(3)23(25)15-27)30-16-20-11-12-32-17-20/h5-8,11-14,17,24H,4,9-10,16H2,1-3H3