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

Systemtic Name: ethyl 2-[[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: ethyl 2-[[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-(2,6-dimethoxynicotinoyl)pyrazolidine-1-carbothioyl]amino]acetic acid ethyl ester Formula: C16H22N4O5S MolecularWeight: 382.43468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5S/c1-4-25-13(21)10-17-16(26)20-9-5-8-19(20)15(22)11-6-7-12(23-2)18-14(11)24-3/h6-7H,4-5,8-10H2,1-3H3,(H,17,26)