2-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl]thio]acetic acid Formula: C12H14FNO3S MolecularWeight: 271.307863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CSCC(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)CSCC(=O)O)F

InChI

InChI=1S/C12H14FNO3S/c1-8-2-3-9(4-10(8)13)5-14-11(15)6-18-7-12(16)17/h2-4H,5-7H2,1H3,(H,14,15)(H,16,17)