ethyl 3-[[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]methyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(2-amino-2-oxo-ethyl)sulfanylanilino]methyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[2-[(2-amino-2-oxoethyl)thio]anilino]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-amino-2-oxoethyl)sulfanylanilino]methyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-[(2-amino-2-keto-ethyl)thio]anilino]methyl]-4-fluoro-benzothiophene-2-carboxylic acid ethyl ester Formula: C20H19FN2O3S2 MolecularWeight: 418.504863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CNC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C20H19FN2O3S2/c1-2-26-20(25)19-12(18-13(21)6-5-9-16(18)28-19)10-23-14-7-3-4-8-15(14)27-11-17(22)24/h3-9,23H,2,10-11H2,1H3,(H2,22,24)