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

Systemtic Name: 4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: 4-[2-cyano-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-cyano-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate IUPAC Name: 4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-[2-cyano-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyrate Formula: C23H20NO4S- MolecularWeight: 406.4742

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)/p-1