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

Systemtic Name: 3-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-[(2-chloro-6-fluoro-phenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[(2-chloro-6-fluoro-benzyl)-methyl-amino]-2-keto-ethyl]thio]propionate Formula: C13H14ClFNO3S- MolecularWeight: 318.771563

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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)/p-1