ethyl 3-[[2-(3,4,5-trimethoxyphenyl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(3,4,5-trimethoxyphenyl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(3,4,5-trimethoxybenzoyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,4,5-trimethoxybenzoyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(3,4,5-trimethoxybenzoyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6S/c1-5-28-16(23)7-8-20-19(29)22-10-6-9-21(22)18(24)13-11-14(25-2)17(27-4)15(12-13)26-3/h11-12H,5-10H2,1-4H3,(H,20,29)