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

Systemtic Name: N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxamide CAS Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(2,3-dimethylanilino)-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:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=C(C3=C(C=CC=C3S2)F)COC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=C(C3=C(C=CC=C3S2)F)COC)C

InChI

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