methyl 6-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-6-oxo-hexanoate CAS Name: 6-[2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-6-oxohexanoate Traditional Name: 6-keto-6-[2-(piperonylthiocarbamoyl)pyrazolidin-1-yl]hexanoic acid methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CCCCC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H25N3O5S/c1-25-18(24)6-3-2-5-17(23)21-9-4-10-22(21)19(28)20-12-14-7-8-15-16(11-14)27-13-26-15/h7-8,11H,2-6,9-10,12-13H2,1H3,(H,20,28)