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

Systemtic Name: ethyl (2R)-2-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinolin-4-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(CS)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)N[C@@H](CS)C(=O)OCC)C

InChI

InChI=1S/C21H24N4O3S/c1-4-25-13(3)16(11-22-25)18-10-15(14-8-6-7-9-17(14)23-18)20(26)24-19(12-29)21(27)28-5-2/h6-11,19,29H,4-5,12H2,1-3H3,(H,24,26)/t19-/m0/s1