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

Systemtic Name: ethyl 3-[[2-(1,2-oxazol-5-ylcarbonyl)pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(isoxazole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[5-isoxazolyl(oxo)methyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,2-oxazole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(isoxazole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=CC=NO2

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=CC=NO2

InChI

InChI=1S/C13H18N4O4S/c1-2-20-11(18)5-6-14-13(22)17-9-3-8-16(17)12(19)10-4-7-15-21-10/h4,7H,2-3,5-6,8-9H2,1H3,(H,14,22)