[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [2-[[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [2-keto-2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC(=O)[C@H](C)SC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-15-9-11-18(12-10-15)25-20(13-16(2)24-25)23-21(26)14-28-22(27)17(3)29-19-7-5-4-6-8-19/h4-13,17H,14H2,1-3H3,(H,23,26)/t17-/m0/s1