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

Systemtic Name: [2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(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] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(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)C(C)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)COC(=O)[C@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3S/c1-11-16(12(2)20(4)19-11)18-15(21)10-23-17(22)13(3)24-14-8-6-5-7-9-14/h5-9,13H,10H2,1-4H3,(H,18,21)/t13-/m0/s1