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

Systemtic Name: ethyl (2R)-2-[[1-(phenoxymethyl)pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[oxo-[1-(phenoxymethyl)-3-pyrazolyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]propionic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN(C=C1)COC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN(C=C1)COC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O4S/c1-2-22-16(21)14(10-24)17-15(20)13-8-9-19(18-13)11-23-12-6-4-3-5-7-12/h3-9,14,24H,2,10-11H2,1H3,(H,17,20)/t14-/m0/s1