ethyl (2R)-3-sulfanyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl (2R)-3-sulfanyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]carbonylamino]propanoate Openeye Name: ethyl (2R)-3-sulfanyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]propanoate CAS Name: (2R)-3-mercapto-2-[[oxo-[2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-sulfanyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]propanoate Traditional Name: (2R)-3-mercapto-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]propionic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(N(N=C3C)C)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(N(N=C3C)C)C

InChI

InChI=1S/C21H24N4O3S/c1-5-28-21(27)18(11-29)23-20(26)15-10-17(19-12(2)24-25(4)13(19)3)22-16-9-7-6-8-14(15)16/h6-10,18,29H,5,11H2,1-4H3,(H,23,26)/t18-/m0/s1