methyl 5-[5-(1-oxidanyl-3-thiophen-2-yl-propyl)-1,3-benzodioxol-2-yl]pentanoate

Systemtic Name: methyl 5-[5-(1-oxidanyl-3-thiophen-2-yl-propyl)-1,3-benzodioxol-2-yl]pentanoate Openeye Name: methyl 5-[5-[1-hydroxy-3-(2-thienyl)propyl]-1,3-benzodioxol-2-yl]pentanoate CAS Name: 5-[5-(1-hydroxy-3-thiophen-2-ylpropyl)-1,3-benzodioxol-2-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-[5-(1-hydroxy-3-thiophen-2-ylpropyl)-1,3-benzodioxol-2-yl]pentanoate Traditional Name: 5-[5-[1-hydroxy-3-(2-thienyl)propyl]-1,3-benzodioxol-2-yl]valeric acid methyl ester Formula: C20H24O5S MolecularWeight: 376.46656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1OC2=C(O1)C=C(C=C2)C(CCC3=CC=CS3)O

Isomeric SMILES

COC(=O)CCCCC1OC2=C(O1)C=C(C=C2)C(CCC3=CC=CS3)O

InChI

InChI=1S/C20H24O5S/c1-23-19(22)6-2-3-7-20-24-17-11-8-14(13-18(17)25-20)16(21)10-9-15-5-4-12-26-15/h4-5,8,11-13,16,20-21H,2-3,6-7,9-10H2,1H3