3-[2-(ethylcarbamothioyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[2-(ethylcarbamothioyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanoic acid Openeye Name: 3-[2-(ethylcarbamothioyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoic acid CAS Name: 3-[2-[ethylamino(sulfanylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoic acid IUPAC Name: 3-[2-(ethylcarbamothioyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(ethylthiocarbamoyl)-5-keto-3-methyl-3-pyrazolin-4-yl]propionic acid Formula: C10H15N3O3S MolecularWeight: 257.3094

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1C(=O)C(=C(N1)C)CCC(=O)O

Isomeric SMILES

CCNC(=S)N1C(=O)C(=C(N1)C)CCC(=O)O

InChI

InChI=1S/C10H15N3O3S/c1-3-11-10(17)13-9(16)7(6(2)12-13)4-5-8(14)15/h12H,3-5H2,1-2H3,(H,11,17)(H,14,15)