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

Systemtic Name: ethyl 4-[2-(2-cyanoethylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: ethyl 4-[2-(2-cyanoethylcarbamoyl)-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-[(2-cyanoethylamino)-oxomethyl]-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-cyanoethylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-[2-(2-cyanoethylcarbamoyl)-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid ethyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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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(=O)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O5S/c1-3-33-27(31)12-11-25(23-8-5-4-7-20(23)2)35-26-17-22(34-18-21-13-16-36-19-21)9-10-24(26)28(32)30-15-6-14-29/h4-5,7-10,13,16-17,19,25H,3,6,11-12,15,18H2,1-2H3,(H,30,32)