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

Systemtic Name: ethyl (2R)-2-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O3S/c1-4-18-12(17)10(7-19)13-11(16)6-15-9(3)5-8(2)14-15/h5,10,19H,4,6-7H2,1-3H3,(H,13,16)/t10-/m0/s1