methyl 3-[(2R)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[(2R)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[(1R)-2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[(1R)-2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C13H15ClFNO3S MolecularWeight: 319.779503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)SCCC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)F)Cl)SCCC(=O)OC

InChI

InChI=1S/C13H15ClFNO3S/c1-8(20-6-5-12(17)19-2)13(18)16-11-4-3-9(15)7-10(11)14/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)/t8-/m1/s1