[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22FNO3S MolecularWeight: 375.456983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C20H22FNO3S/c1-13-5-4-6-14(2)19(13)22-20(24)15(3)25-18(23)11-12-26-17-9-7-16(21)8-10-17/h4-10,15H,11-12H2,1-3H3,(H,22,24)