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

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O4S/c22-16-1-7-19(8-2-16)29-14-9-21(26)28-15-20(25)23-17-3-5-18(6-4-17)24-10-12-27-13-11-24/h1-8H,9-15H2,(H,23,25)