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

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C21H24FNO5S MolecularWeight: 421.482363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F)OCC

InChI

InChI=1S/C21H24FNO5S/c1-3-26-18-10-7-16(13-19(18)27-4-2)23-20(24)14-28-21(25)11-12-29-17-8-5-15(22)6-9-17/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,24)