methyl (2R)-2-[[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-4-methylsulfanyl-2-[[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]butanoate CAS Name: (2R)-2-[[[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3-(3-methylphenyl)-1-phenylpyrazole-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-[[3-(m-tolyl)-1-phenyl-pyrazole-4-carbonyl]amino]butyric acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)N[C@H](CCSC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S/c1-16-8-7-9-17(14-16)21-19(15-26(25-21)18-10-5-4-6-11-18)22(27)24-20(12-13-30-3)23(28)29-2/h4-11,14-15,20H,12-13H2,1-3H3,(H,24,27)/t20-/m1/s1