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

Systemtic Name: 4-[2-(cyanomethylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: 4-[2-(cyanomethylcarbamoyl)-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-[(cyanomethylamino)-oxomethyl]-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate IUPAC Name: 4-[2-(cyanomethylcarbamoyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-[2-(cyanomethylcarbamoyl)-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyrate Formula: C25H23N2O5S- MolecularWeight: 463.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)NCC#N

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)NCC#N

InChI

InChI=1S/C25H24N2O5S/c1-17-4-2-3-5-20(17)22(8-9-24(28)29)32-23-14-19(31-15-18-10-13-33-16-18)6-7-21(23)25(30)27-12-11-26/h2-7,10,13-14,16,22H,8-9,12,15H2,1H3,(H,27,30)(H,28,29)/p-1