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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]butyric acid methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S2/c1-26-20(25)16(10-12-27-2)21-19(24)15-13-23(14-7-4-3-5-8-14)22-18(15)17-9-6-11-28-17/h3-9,11,13,16H,10,12H2,1-2H3,(H,21,24)/t16-/m0/s1