3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl]thio]propionic acid Formula: C13H15ClFNO3S MolecularWeight: 319.779503

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSCCC(=O)O

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)CSCCC(=O)O

InChI

InChI=1S/C13H15ClFNO3S/c1-16(12(17)8-20-6-5-13(18)19)7-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3,(H,18,19)