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

Systemtic Name: ethyl 3-[[2-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(benzofurazan-5-carbonyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=CC3=NON=C3C=C2

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=CC3=NON=C3C=C2

InChI

InChI=1S/C16H19N5O4S/c1-2-24-14(22)6-7-17-16(26)21-9-3-8-20(21)15(23)11-4-5-12-13(10-11)19-25-18-12/h4-5,10H,2-3,6-9H2,1H3,(H,17,26)