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

Systemtic Name: ethyl (2R)-2-[[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[oxo-[1-(1-pyrazolylmethyl)-3-pyrazolyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]propionic acid ethyl ester Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN(C=C1)CN2C=CC=N2

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN(C=C1)CN2C=CC=N2

InChI

InChI=1S/C13H17N5O3S/c1-2-21-13(20)11(8-22)15-12(19)10-4-7-18(16-10)9-17-6-3-5-14-17/h3-7,11,22H,2,8-9H2,1H3,(H,15,19)/t11-/m0/s1