methyl 4-bromanyl-3-[5-[6-(oxan-2-yloxymethyl)-4-oxidanylidene-pyran-3-yl]oxypentoxy]thiophene-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-[5-[6-(oxan-2-yloxymethyl)-4-oxidanylidene-pyran-3-yl]oxypentoxy]thiophene-2-carboxylate Openeye Name: methyl 4-bromo-3-[5-[4-oxo-6-(tetrahydropyran-2-yloxymethyl)pyran-3-yl]oxypentoxy]thiophene-2-carboxylate CAS Name: 4-bromo-3-[5-[[6-(2-oxanyloxymethyl)-4-oxo-3-pyranyl]oxy]pentoxy]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-[5-[6-(oxan-2-yloxymethyl)-4-oxopyran-3-yl]oxypentoxy]thiophene-2-carboxylate Traditional Name: 4-bromo-3-[5-[4-keto-6-(tetrahydropyran-2-yloxymethyl)pyran-3-yl]oxypentoxy]thiophene-2-carboxylic acid methyl ester Formula: C22H27BrO8S MolecularWeight: 531.41398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CS1)Br)OCCCCCOC2=COC(=CC2=O)COC3CCCCO3

Isomeric SMILES

COC(=O)C1=C(C(=CS1)Br)OCCCCCOC2=COC(=CC2=O)COC3CCCCO3

InChI

InChI=1S/C22H27BrO8S/c1-26-22(25)21-20(16(23)14-32-21)29-10-5-2-4-8-27-18-13-30-15(11-17(18)24)12-31-19-7-3-6-9-28-19/h11,13-14,19H,2-10,12H2,1H3