[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3N=C2)F

InChI

InChI=1S/C20H16FN3O4S/c1-12(25)23-13-6-7-14(15(21)8-13)18(26)10-28-20(27)11-29-19-9-22-16-4-2-3-5-17(16)24-19/h2-9H,10-11H2,1H3,(H,23,25)