2-[2-chloranyl-4-fluoranyl-5-[(4-methoxypyrazolidin-1-yl)sulfanylcarbonylamino]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-chloranyl-4-fluoranyl-5-[(4-methoxypyrazolidin-1-yl)sulfanylcarbonylamino]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-chloro-4-fluoro-5-[(4-methoxypyrazolidin-1-yl)sulfanylcarbonylamino]phenyl]sulfanylacetic acid CAS Name: 2-[[2-chloro-4-fluoro-5-[[[(4-methoxy-1-pyrazolidinyl)thio]-oxomethyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[2-chloro-4-fluoro-5-[(4-methoxypyrazolidin-1-yl)sulfanylcarbonylamino]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-chloro-4-fluoro-5-[[(4-methoxypyrazolidin-1-yl)thio]carbonylamino]phenyl]thio]acetic acid Formula: C13H15ClFN3O4S2 MolecularWeight: 395.857303

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Descriptors Computed from Structure

Canonical SMILES:

COC1CNN(C1)SC(=O)NC2=CC(=C(C=C2F)Cl)SCC(=O)O

Isomeric SMILES

COC1CNN(C1)SC(=O)NC2=CC(=C(C=C2F)Cl)SCC(=O)O

InChI

InChI=1S/C13H15ClFN3O4S2/c1-22-7-4-16-18(5-7)24-13(21)17-10-3-11(23-6-12(19)20)8(14)2-9(10)15/h2-3,7,16H,4-6H2,1H3,(H,17,21)(H,19,20)