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

Systemtic Name: [2-[[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [2-[[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [2-[[2-(4-fluorophenyl)-5-methyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [2-[[2-(4-fluorophenyl)-5-methyl-pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C21H20FN3O3S MolecularWeight: 413.465203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)COC(=O)C(C)SC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)COC(=O)[C@H](C)SC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O3S/c1-14-12-19(25(24-14)17-10-8-16(22)9-11-17)23-20(26)13-28-21(27)15(2)29-18-6-4-3-5-7-18/h3-12,15H,13H2,1-2H3,(H,23,26)/t15-/m0/s1