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

Systemtic Name: ethyl (2R)-2-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C14H15BrN4O6S MolecularWeight: 447.2611

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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-])Br

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN4O6S/c1-2-24-14(21)10(7-26)16-13(20)11-4-3-8(25-11)5-18-6-9(15)12(17-18)19(22)23/h3-4,6,10,26H,2,5,7H2,1H3,(H,16,20)/t10-/m0/s1