[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C21H28FNO4S MolecularWeight: 409.514723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=C(C2=C(C=CC=C2S1)F)COC

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=C(C2=C(C=CC=C2S1)F)COC

InChI

InChI=1S/C21H28FNO4S/c1-20(2,3)12-21(4,5)23-16(24)11-27-19(25)18-13(10-26-6)17-14(22)8-7-9-15(17)28-18/h7-9H,10-12H2,1-6H3,(H,23,24)