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

Systemtic Name: ethyl 4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: ethyl 4-[2-cyano-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-cyano-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-[2-cyano-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid ethyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4S/c1-3-28-25(27)11-10-23(22-7-5-4-6-18(22)2)30-24-14-21(9-8-20(24)15-26)29-16-19-12-13-31-17-19/h4-9,12-14,17,23H,3,10-11,16H2,1-2H3