ethyl 5-[[(2R)-1-ethoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[(2R)-1-ethoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[(1R)-2-ethoxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[[(2R)-1-ethoxy-3-mercapto-1-oxopropan-2-yl]amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[[(1R)-2-ethoxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C13H19N3O5S MolecularWeight: 329.37206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC(CS)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)N[C@@H](CS)C(=O)OCC

InChI

InChI=1S/C13H19N3O5S/c1-4-20-12(18)9(7-22)14-11(17)8-6-10(16(3)15-8)13(19)21-5-2/h6,9,22H,4-5,7H2,1-3H3,(H,14,17)/t9-/m0/s1