methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-(piperidin-4-ylmethoxy)phenyl]thiophene-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-(piperidin-4-ylmethoxy)phenyl]thiophene-2-carboxylate Openeye Name: methyl 4-bromo-3-(2-ethoxy-2-oxo-ethoxy)-5-[3-(4-piperidylmethoxy)phenyl]thiophene-2-carboxylate CAS Name: 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-(4-piperidinylmethoxy)phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-(piperidin-4-ylmethoxy)phenyl]thiophene-2-carboxylate Traditional Name: 4-bromo-3-(2-ethoxy-2-keto-ethoxy)-5-[3-(4-piperidylmethoxy)phenyl]thiophene-2-carboxylic acid methyl ester Formula: C22H26BrNO6S MolecularWeight: 512.41394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)OCC3CCNCC3)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)OCC3CCNCC3)C(=O)OC

InChI

InChI=1S/C22H26BrNO6S/c1-3-28-17(25)13-30-19-18(23)20(31-21(19)22(26)27-2)15-5-4-6-16(11-15)29-12-14-7-9-24-10-8-14/h4-6,11,14,24H,3,7-10,12-13H2,1-2H3