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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FNO4S/c1-4-11(5-2)20-15(21)10-24-18(22)17-12(9-23-3)16-13(19)7-6-8-14(16)25-17/h6-8,11H,4-5,9-10H2,1-3H3,(H,20,21)