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

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C21H24FNO3S MolecularWeight: 389.483563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO3S/c1-21(2,3)15-4-8-17(9-5-15)23-19(24)14-26-20(25)12-13-27-18-10-6-16(22)7-11-18/h4-11H,12-14H2,1-3H3,(H,23,24)