[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=N2)C(=C1)NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC2=C(C=CC=N2)C(=C1)NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O3S/c21-14-6-8-15(9-7-14)27-12-10-20(25)26-13-19(24)23-18-5-1-4-17-16(18)3-2-11-22-17/h1-9,11H,10,12-13H2,(H,23,24)