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

Systemtic Name: 4-[2-cyano-3-methyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: 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)butanoate IUPAC Name: 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)butyrate Formula: C24H22NO4S- MolecularWeight: 420.50078

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO4S/c1-16-5-3-4-6-20(16)22(7-8-24(26)27)29-23-12-19(11-17(2)21(23)13-25)28-14-18-9-10-30-15-18/h3-6,9-12,15,22H,7-8,14H2,1-2H3,(H,26,27)/p-1