[2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-[(4-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC

InChI

InChI=1S/C21H20FNO4S/c1-23(11-14-7-9-15(22)10-8-14)19(24)12-26-21(25)20-17(13-28-2)16-5-3-4-6-18(16)27-20/h3-10H,11-13H2,1-2H3