ethyl 3-[[2-(2-phenoxyethanoyl)pyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(2-phenoxyethanoyl)pyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(2-phenoxyacetyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-(1-oxo-2-phenoxyethyl)-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-phenoxyacetyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(2-phenoxyacetyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)COC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O4S/c1-2-23-16(22)9-10-18-17(25)20-12-6-11-19(20)15(21)13-24-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3,(H,18,25)