ethyl (2R)-2-[[1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C16H17FN4O6S MolecularWeight: 412.392783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN(C=C1)COC2=C(C=CC(=C2)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN4O6S/c1-2-26-16(23)12(8-28)18-15(22)11-5-6-20(19-11)9-27-14-7-10(17)3-4-13(14)21(24)25/h3-7,12,28H,2,8-9H2,1H3,(H,18,22)/t12-/m0/s1