ethyl 3-[(2-but-2-enoylpyrazolidin-1-yl)carbothioylamino]propanoate

Systemtic Name: ethyl 3-[(2-but-2-enoylpyrazolidin-1-yl)carbothioylamino]propanoate Openeye Name: ethyl 3-[(2-but-2-enoylpyrazolidine-1-carbothioyl)amino]propanoate CAS Name: 3-[[[2-(1-oxobut-2-enyl)-1-pyrazolidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-but-2-enoylpyrazolidine-1-carbothioyl)amino]propanoate Traditional Name: 3-[(2-but-2-enoylpyrazolidine-1-carbothioyl)amino]propionic acid ethyl ester Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O3S/c1-3-6-11(17)15-9-5-10-16(15)13(20)14-8-7-12(18)19-4-2/h3,6H,4-5,7-10H2,1-2H3,(H,14,20)