(4-methylcyclohexyl) 5-(hydroxymethyl)-7-methoxy-2-thiophen-2-yl-1-benzofuran-3-carboxylate

Systemtic Name: (4-methylcyclohexyl) 5-(hydroxymethyl)-7-methoxy-2-thiophen-2-yl-1-benzofuran-3-carboxylate Openeye Name: (4-methylcyclohexyl) 5-(hydroxymethyl)-7-methoxy-2-(2-thienyl)benzofuran-3-carboxylate CAS Name: 5-(hydroxymethyl)-7-methoxy-2-thiophen-2-yl-3-benzofurancarboxylic acid (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 5-(hydroxymethyl)-7-methoxy-2-thiophen-2-yl-1-benzofuran-3-carboxylate Traditional Name: 7-methoxy-5-methylol-2-(2-thienyl)benzofuran-3-carboxylic acid (4-methylcyclohexyl) ester Formula: C22H24O5S MolecularWeight: 400.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)C2=C(OC3=C(C=C(C=C23)CO)OC)C4=CC=CS4

Isomeric SMILES

CC1CCC(CC1)OC(=O)C2=C(OC3=C(C=C(C=C23)CO)OC)C4=CC=CS4

InChI

InChI=1S/C22H24O5S/c1-13-5-7-15(8-6-13)26-22(24)19-16-10-14(12-23)11-17(25-2)20(16)27-21(19)18-4-3-9-28-18/h3-4,9-11,13,15,23H,5-8,12H2,1-2H3