[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C21H19ClFNO3S MolecularWeight: 419.896863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C21H19ClFNO3S/c1-3-12-6-5-7-13(4-2)19(12)24-17(25)11-27-21(26)20-18(22)15-9-8-14(23)10-16(15)28-20/h5-10H,3-4,11H2,1-2H3,(H,24,25)