[2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-[(4-tert-butylbenzoyl)amino]-2-keto-ethyl] ester Formula: C22H24FNO4S MolecularWeight: 417.493663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FNO4S/c1-22(2,3)16-6-4-15(5-7-16)21(27)24-19(25)14-28-20(26)12-13-29-18-10-8-17(23)9-11-18/h4-11H,12-14H2,1-3H3,(H,24,25,27)