[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C20H21FN2O5S/c1-13(24)22-15-5-8-18(27-2)17(11-15)23-19(25)12-28-20(26)9-10-29-16-6-3-14(21)4-7-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)(H,23,25)