methyl 4-[[4-fluoranyl-3-(phenoxymethyl)-1-benzothiophen-2-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-fluoranyl-3-(phenoxymethyl)-1-benzothiophen-2-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[4-fluoro-3-(phenoxymethyl)benzothiophene-2-carbonyl]amino]butanoate CAS Name: 4-[[[4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbonyl]amino]butanoate Traditional Name: 4-[[4-fluoro-3-(phenoxymethyl)benzothiophene-2-carbonyl]amino]butyric acid methyl ester Formula: C21H20FNO4S MolecularWeight: 401.451203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=C(C2=C(C=CC=C2S1)F)COC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCNC(=O)C1=C(C2=C(C=CC=C2S1)F)COC3=CC=CC=C3

InChI

InChI=1S/C21H20FNO4S/c1-26-18(24)11-6-12-23-21(25)20-15(13-27-14-7-3-2-4-8-14)19-16(22)9-5-10-17(19)28-20/h2-5,7-10H,6,11-13H2,1H3,(H,23,25)