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

Systemtic Name: methyl 2-[[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H20N4O5S MolecularWeight: 368.4081

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCC(=O)OC)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCC(=O)OC)OC

InChI

InChI=1S/C15H20N4O5S/c1-22-11-6-5-10(13(17-11)24-3)14(21)18-7-4-8-19(18)15(25)16-9-12(20)23-2/h5-6H,4,7-9H2,1-3H3,(H,16,25)