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

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-fluoranyl-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(methoxymethyl)benzothiophene-2-carboxylic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C18H22FNO4S MolecularWeight: 367.434983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FNO4S/c1-10(2)11(3)20-15(21)9-24-18(22)17-12(8-23-4)16-13(19)6-5-7-14(16)25-17/h5-7,10-11H,8-9H2,1-4H3,(H,20,21)