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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C19H20FNO5S MolecularWeight: 393.429203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C19H20FNO5S/c1-24-16-8-5-14(11-17(16)25-2)21-18(22)12-26-19(23)9-10-27-15-6-3-13(20)4-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)