[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 5-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-fluoro-3-methyl-2-benzofurancarboxylic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-fluoro-3-methyl-coumarilic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C20H17FN2O5S MolecularWeight: 416.422783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)OCC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)OCC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C20H17FN2O5S/c1-11-13-8-12(21)6-7-15(13)28-19(11)20(26)27-9-18(25)23-14-4-2-3-5-16(14)29-10-17(22)24/h2-8H,9-10H2,1H3,(H2,22,24)(H,23,25)