ethyl (2R)-2-[[5-(furan-2-yl)-1H-pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[5-(furan-2-yl)-1H-pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-(2-furyl)-1H-pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[5-(2-furanyl)-1H-pyrazol-3-yl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[5-(2-furyl)-1H-pyrazole-3-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NNC(=C1)C2=CC=CO2

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NNC(=C1)C2=CC=CO2

InChI

InChI=1S/C13H15N3O4S/c1-2-19-13(18)10(7-21)14-12(17)9-6-8(15-16-9)11-4-3-5-20-11/h3-6,10,21H,2,7H2,1H3,(H,14,17)(H,15,16)/t10-/m0/s1