ethyl 2-[[2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate

Systemtic Name: ethyl 2-[[2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: ethyl 2-[[2-(3-chloro-2,6-dimethoxy-benzoyl)pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-(3-chloro-2,6-dimethoxy-benzoyl)pyrazolidine-1-carbothioyl]amino]acetic acid ethyl ester Formula: C17H22ClN3O5S MolecularWeight: 415.89168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N1CCCN1C(=O)C2=C(C=CC(=C2OC)Cl)OC

Isomeric SMILES

CCOC(=O)CNC(=S)N1CCCN1C(=O)C2=C(C=CC(=C2OC)Cl)OC

InChI

InChI=1S/C17H22ClN3O5S/c1-4-26-13(22)10-19-17(27)21-9-5-8-20(21)16(23)14-12(24-2)7-6-11(18)15(14)25-3/h6-7H,4-5,8-10H2,1-3H3,(H,19,27)