ethyl 3-[6-(aminocarbonylamino)hexanoyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[6-(aminocarbonylamino)hexanoyloxymethyl]-4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-(6-ureidohexanoyloxymethyl)benzothiophene-2-carboxylate CAS Name: 3-[[6-(carbamoylamino)-1-oxohexoxy]methyl]-4-fluoro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[6-(carbamoylamino)hexanoyloxymethyl]-4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-(6-ureidohexanoyloxymethyl)benzothiophene-2-carboxylic acid ethyl ester Formula: C19H23FN2O5S MolecularWeight: 410.459723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN2O5S/c1-2-26-18(24)17-12(16-13(20)7-6-8-14(16)28-17)11-27-15(23)9-4-3-5-10-22-19(21)25/h6-8H,2-5,9-11H2,1H3,(H3,21,22,25)