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

Systemtic Name: 2-[2-chloranyl-4-fluoranyl-5-[(4-methoxypyrazolidin-1-yl)carbothioylamino]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-chloro-4-fluoro-5-[(4-methoxypyrazolidine-1-carbothioyl)amino]phenyl]sulfanylacetic acid CAS Name: 2-[[2-chloro-4-fluoro-5-[[(4-methoxy-1-pyrazolidinyl)-sulfanylidenemethyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[2-chloro-4-fluoro-5-[(4-methoxypyrazolidine-1-carbothioyl)amino]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-chloro-4-fluoro-5-[(4-methoxypyrazolidine-1-carbothioyl)amino]phenyl]thio]acetic acid Formula: C13H15ClFN3O3S2 MolecularWeight: 379.857903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClFN3O3S2/c1-21-7-4-16-18(5-7)13(22)17-10-3-11(23-6-12(19)20)8(14)2-9(10)15/h2-3,7,16H,4-6H2,1H3,(H,17,22)(H,19,20)