ethyl (2R)-2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-mercapto-propionic acid ethyl ester Formula: C13H20ClN3O3S MolecularWeight: 333.8342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C(C)N1C(=C(C(=N1)C)Cl)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C(C)N1C(=C(C(=N1)C)Cl)C

InChI

InChI=1S/C13H20ClN3O3S/c1-5-20-13(19)10(6-21)15-12(18)9(4)17-8(3)11(14)7(2)16-17/h9-10,21H,5-6H2,1-4H3,(H,15,18)/t9?,10-/m0/s1