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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC2=CC(=CC=C2)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC2=CC(=CC=C2)F)C

InChI

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