[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-[4-(diethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

InChI

InChI=1S/C22H21FN2O4S/c1-3-25(4-2)21(27)14-5-8-17(9-6-14)24-20(26)13-29-22(28)19-12-15-11-16(23)7-10-18(15)30-19/h5-12H,3-4,13H2,1-2H3,(H,24,26)