ethyl 3-[(2-propanoylpyrazolidin-1-yl)carbothioylamino]propanoate

Systemtic Name: ethyl 3-[(2-propanoylpyrazolidin-1-yl)carbothioylamino]propanoate Openeye Name: ethyl 3-[(2-propanoylpyrazolidine-1-carbothioyl)amino]propanoate CAS Name: 3-[[[2-(1-oxopropyl)-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-propanoylpyrazolidine-1-carbothioyl)amino]propanoate Traditional Name: 3-[(2-propionylpyrazolidine-1-carbothioyl)amino]propionic acid ethyl ester Formula: C12H21N3O3S MolecularWeight: 287.37844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCN1C(=S)NCCC(=O)OCC

Isomeric SMILES

CCC(=O)N1CCCN1C(=S)NCCC(=O)OCC

InChI

InChI=1S/C12H21N3O3S/c1-3-10(16)14-8-5-9-15(14)12(19)13-7-6-11(17)18-4-2/h3-9H2,1-2H3,(H,13,19)