ethyl (2R)-2-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[[5-[(4-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[5-[(4-nitropyrazol-1-yl)methyl]-2-furoyl]amino]propionic acid ethyl ester Formula: C14H16N4O6S MolecularWeight: 368.36504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=CC=C(O1)CN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=CC=C(O1)CN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O6S/c1-2-23-14(20)11(8-25)16-13(19)12-4-3-10(24-12)7-17-6-9(5-15-17)18(21)22/h3-6,11,25H,2,7-8H2,1H3,(H,16,19)/t11-/m0/s1