N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(2-ethylanilino)-2-oxo-ethyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide CAS Name: N-[2-(2-ethylanilino)-2-oxoethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(2-ethylanilino)-2-oxoethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(2-ethylanilino)-2-keto-ethyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=C(C3=C(C=CC=C3S2)F)COC

InChI

InChI=1S/C21H21FN2O3S/c1-3-13-7-4-5-9-16(13)24-18(25)11-23-21(26)20-14(12-27-2)19-15(22)8-6-10-17(19)28-20/h4-10H,3,11-12H2,1-2H3,(H,23,26)(H,24,25)