ethyl 3-[[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(2,6-dimethoxynicotinoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=C(N=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2=C(N=C(C=C2)OC)OC

InChI

InChI=1S/C17H24N4O5S/c1-4-26-14(22)8-9-18-17(27)21-11-5-10-20(21)16(23)12-6-7-13(24-2)19-15(12)25-3/h6-7H,4-5,8-11H2,1-3H3,(H,18,27)