ethyl 3-[[2-(1-phenylcyclopropyl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 3-[[2-(1-phenylcyclopropyl)carbonylpyrazolidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 3-[[2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioyl]amino]propanoate CAS Name: 3-[[[2-[oxo-(1-phenylcyclopropyl)methyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioyl]amino]propanoate Traditional Name: 3-[[2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCNC(=S)N1CCCN1C(=O)C2(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O3S/c1-2-25-16(23)9-12-20-18(26)22-14-6-13-21(22)17(24)19(10-11-19)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,20,26)