ethyl (2R)-2-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[2-(4-chloropyrazol-1-yl)butanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-(4-chloro-1-pyrazolyl)-1-oxobutyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[2-(4-chloropyrazol-1-yl)butanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[2-(4-chloropyrazol-1-yl)butanoylamino]-3-mercapto-propionic acid ethyl ester Formula: C12H18ClN3O3S MolecularWeight: 319.80762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CS)C(=O)OCC)N1C=C(C=N1)Cl

Isomeric SMILES

CCC(C(=O)N[C@@H](CS)C(=O)OCC)N1C=C(C=N1)Cl

InChI

InChI=1S/C12H18ClN3O3S/c1-3-10(16-6-8(13)5-14-16)11(17)15-9(7-20)12(18)19-4-2/h5-6,9-10,20H,3-4,7H2,1-2H3,(H,15,17)/t9-,10?/m0/s1