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

Systemtic Name: ethyl (2R)-2-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[3-(4-chloro-3-methyl-pyrazol-1-yl)propanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[3-(4-chloro-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[3-(4-chloro-3-methyl-pyrazol-1-yl)propanoylamino]-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)CCN1C=C(C(=N1)C)Cl

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)CCN1C=C(C(=N1)C)Cl

InChI

InChI=1S/C12H18ClN3O3S/c1-3-19-12(18)10(7-20)14-11(17)4-5-16-6-9(13)8(2)15-16/h6,10,20H,3-5,7H2,1-2H3,(H,14,17)/t10-/m0/s1