ethyl 3-[[2-(1,3-benzodioxol-5-ylcarbonyl)pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(1,3-benzodioxol-5-ylcarbonyl)pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(1,3-benzodioxole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[1,3-benzodioxol-5-yl(oxo)methyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,3-benzodioxole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[(2-piperonyloylpyrazolidine-1-carbothioyl)amino]propionic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21N3O5S/c1-2-23-15(21)6-7-18-17(26)20-9-3-8-19(20)16(22)12-4-5-13-14(10-12)25-11-24-13/h4-5,10H,2-3,6-9,11H2,1H3,(H,18,26)