4-(2-methylphenyl)-4-[2-prop-1-en-2-yl-5-(thiophen-3-ylmethoxy)phenoxy]butanoate

Systemtic Name: 4-(2-methylphenyl)-4-[2-prop-1-en-2-yl-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Openeye Name: 4-[2-isopropenyl-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-(1-methylethenyl)-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate IUPAC Name: 4-(2-methylphenyl)-4-[2-prop-1-en-2-yl-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Traditional Name: 4-[2-isopropenyl-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyrate Formula: C25H25O4S- MolecularWeight: 421.5286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26O4S/c1-17(2)21-9-8-20(28-15-19-12-13-30-16-19)14-24(21)29-23(10-11-25(26)27)22-7-5-4-6-18(22)3/h4-9,12-14,16,23H,1,10-11,15H2,2-3H3,(H,26,27)/p-1