ethyl 2-[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpentanoate

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpentanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpentanoate CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-ylmethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylpentanoate Traditional Name: 2-[(5-methylol-1-piperonyl-imidazol-2-yl)thio]valeric acid ethyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)SC1=NC=C(N1CC2=CC3=C(C=C2)OCO3)CO

Isomeric SMILES

CCCC(C(=O)OCC)SC1=NC=C(N1CC2=CC3=C(C=C2)OCO3)CO

InChI

InChI=1S/C19H24N2O5S/c1-3-5-17(18(23)24-4-2)27-19-20-9-14(11-22)21(19)10-13-6-7-15-16(8-13)26-12-25-15/h6-9,17,22H,3-5,10-12H2,1-2H3