ethyl 4-[2-(1-hydroxyethyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate

Systemtic Name: ethyl 4-[2-(1-hydroxyethyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Openeye Name: ethyl 4-[2-(1-hydroxyethyl)-5-(3-thienylmethoxy)phenoxy]-4-(o-tolyl)butanoate CAS Name: 4-[2-(1-hydroxyethyl)-5-(3-thiophenylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-hydroxyethyl)-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate Traditional Name: 4-[2-(1-hydroxyethyl)-5-(3-thenyloxy)phenoxy]-4-(o-tolyl)butyric acid ethyl ester Formula: C26H30O5S MolecularWeight: 454.5784

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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(C)O

Isomeric SMILES

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

InChI

InChI=1S/C26H30O5S/c1-4-29-26(28)12-11-24(22-8-6-5-7-18(22)2)31-25-15-21(9-10-23(25)19(3)27)30-16-20-13-14-32-17-20/h5-10,13-15,17,19,24,27H,4,11-12,16H2,1-3H3