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

Systemtic Name: ethyl (2R)-2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C12H18ClN3O3S MolecularWeight: 319.80762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CN1C(=C(C(=N1)C)Cl)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CN1C(=C(C(=N1)C)Cl)C

InChI

InChI=1S/C12H18ClN3O3S/c1-4-19-12(18)9(6-20)14-10(17)5-16-8(3)11(13)7(2)15-16/h9,20H,4-6H2,1-3H3,(H,14,17)/t9-/m0/s1