[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3S/c1-12-17(13(2)20(3)19-12)18-15(21)11-23-16(22)9-10-24-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,18,21)