ethyl 5-azanyl-1-hexanoyl-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-hexanoyl-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-hexanoyl-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-(1-oxohexyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-hexanoyl-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-caproyl-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=C(C(=N1)SC)C(=O)OCC)N

Isomeric SMILES

CCCCCC(=O)N1C(=C(C(=N1)SC)C(=O)OCC)N

InChI

InChI=1S/C13H21N3O3S/c1-4-6-7-8-9(17)16-11(14)10(12(15-16)20-3)13(18)19-5-2/h4-8,14H2,1-3H3