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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FNO3S/c1-2-3-4-16-5-9-18(10-6-16)23-20(24)15-26-21(25)13-14-27-19-11-7-17(22)8-12-19/h5-12H,2-4,13-15H2,1H3,(H,23,24)