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

Systemtic Name: ethyl (2R)-2-[(1-ethyl-3-methyl-pyrazol-4-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(1-ethyl-3-methyl-4-pyrazolyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(1-ethyl-3-methyl-pyrazole-4-carbonyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C(=O)NC(CS)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)C(=O)N[C@@H](CS)C(=O)OCC

InChI

InChI=1S/C12H19N3O3S/c1-4-15-6-9(8(3)14-15)11(16)13-10(7-19)12(17)18-5-2/h6,10,19H,4-5,7H2,1-3H3,(H,13,16)/t10-/m0/s1