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

Systemtic Name: ethyl 3-[[2-(2-chloranylpyridin-3-yl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(2-chloropyridine-3-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(2-chloro-3-pyridinyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-chloropyridine-3-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(2-chloronicotinoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C15H19ClN4O3S MolecularWeight: 370.85436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C15H19ClN4O3S/c1-2-23-12(21)6-8-18-15(24)20-10-4-9-19(20)14(22)11-5-3-7-17-13(11)16/h3,5,7H,2,4,6,8-10H2,1H3,(H,18,24)