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

Systemtic Name: ethyl 5-azanyl-3-methylsulfanyl-1-tetradecanoyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-methylsulfanyl-1-tetradecanoyl-pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-(1-oxotetradecyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-methylsulfanyl-1-tetradecanoylpyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-tetradecanoyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H37N3O3S MolecularWeight: 411.60178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(25)24-19(22)18(20(23-24)28-3)21(26)27-5-2/h4-16,22H2,1-3H3