ethyl 3-[[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]oxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]oxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]oxymethyl]-4-fluoro-benzothiophene-2-carboxylate CAS Name: 3-[[(2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]-1-oxopropoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]oxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(2S)-2-(pivaloylamino)propanoyl]oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H24FNO5S MolecularWeight: 409.471663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)[C@H](C)NC(=O)C(C)(C)C

InChI

InChI=1S/C20H24FNO5S/c1-6-26-18(24)16-12(15-13(21)8-7-9-14(15)28-16)10-27-17(23)11(2)22-19(25)20(3,4)5/h7-9,11H,6,10H2,1-5H3,(H,22,25)/t11-/m0/s1