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

Systemtic Name: methyl 2-[[2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O5S/c1-23-11-6-5-10(17)14(25-3)13(11)15(22)19-7-4-8-20(19)16(26)18-9-12(21)24-2/h5-6H,4,7-9H2,1-3H3,(H,18,26)