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

Systemtic Name: ethyl (2R)-2-[[2-(1,5-dimethylpyrazol-4-yl)quinolin-4-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[2-(1,5-dimethyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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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=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-4-27-20(26)18(11-28)23-19(25)14-9-17(15-10-21-24(3)12(15)2)22-16-8-6-5-7-13(14)16/h5-10,18,28H,4,11H2,1-3H3,(H,23,25)/t18-/m0/s1