[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C19H28FNO3S MolecularWeight: 369.493923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)COC(=O)CCSC1=CC=C(C=C1)F

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)CCSC1=CC=C(C=C1)F

InChI

InChI=1S/C19H28FNO3S/c1-18(2,3)13-19(4,5)21-16(22)12-24-17(23)10-11-25-15-8-6-14(20)7-9-15/h6-9H,10-13H2,1-5H3,(H,21,22)