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

Systemtic Name: ethyl 5-azanyl-3-methylsulfanyl-1-octanoyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfanyl-1-octanoyl-pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-(1-oxooctyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-methylsulfanyl-1-octanoylpyrazole-4-carboxylate Traditional Name: 5-amino-1-caprylyl-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C15H25N3O3S MolecularWeight: 327.4423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O3S/c1-4-6-7-8-9-10-11(19)18-13(16)12(14(17-18)22-3)15(20)21-5-2/h4-10,16H2,1-3H3