methyl (2S)-2-[(1,3-diphenylpyrazol-4-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(1,3-diphenylpyrazol-4-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(1,3-diphenylpyrazole-4-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-28-22(27)19(13-14-29-2)23-21(26)18-15-25(17-11-7-4-8-12-17)24-20(18)16-9-5-3-6-10-16/h3-12,15,19H,13-14H2,1-2H3,(H,23,26)/t19-/m0/s1