methyl 2-[[2-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrazolidin-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[2-(2,1,3-benzoxadiazol-5-ylcarbonyl)pyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(2,1,3-benzoxadiazole-5-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-(benzofurazan-5-carbonyl)pyrazolidine-1-carbothioyl]amino]acetic acid methyl ester Formula: C14H15N5O4S MolecularWeight: 349.365

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1CCCN1C(=O)C2=CC3=NON=C3C=C2

Isomeric SMILES

COC(=O)CNC(=S)N1CCCN1C(=O)C2=CC3=NON=C3C=C2

InChI

InChI=1S/C14H15N5O4S/c1-22-12(20)8-15-14(24)19-6-2-5-18(19)13(21)9-3-4-10-11(7-9)17-23-16-10/h3-4,7H,2,5-6,8H2,1H3,(H,15,24)