[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C19H20FNO3S MolecularWeight: 361.430403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO3S/c1-13-9-14(2)11-16(10-13)21-18(22)12-24-19(23)7-8-25-17-5-3-15(20)4-6-17/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,22)