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

Systemtic Name: 2-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]thio]acetic acid Formula: C11H12FNO3S MolecularWeight: 257.281283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12FNO3S/c1-7-2-3-8(4-9(7)12)13-10(14)5-17-6-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)