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

Systemtic Name: ethyl 3-[(2-butanoylpyrazolidin-1-yl)carbothioylamino]propanoate Openeye Name: ethyl 3-[(2-butanoylpyrazolidine-1-carbothioyl)amino]propanoate CAS Name: 3-[[[2-(1-oxobutyl)-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-butanoylpyrazolidine-1-carbothioyl)amino]propanoate Traditional Name: 3-[(2-butyrylpyrazolidine-1-carbothioyl)amino]propionic acid ethyl ester Formula: C13H23N3O3S MolecularWeight: 301.40502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O3S/c1-3-6-11(17)15-9-5-10-16(15)13(20)14-8-7-12(18)19-4-2/h3-10H2,1-2H3,(H,14,20)