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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)OC1OC2=C(O1)C=C(C=C2)C(CCC3=CC=CS3)O

Isomeric SMILES

CCCC(C)C(=O)OC1OC2=C(O1)C=C(C=C2)C(CCC3=CC=CS3)O

InChI

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