ethyl 2-[3-(2-fluoranylphenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(2-fluoranylphenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-fluorophenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(2-fluorophenoxy)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-fluorophenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(2-fluorophenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCOC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCOC3=CC=CC=C3F

InChI

InChI=1S/C21H24FNO4S/c1-3-26-21(25)19-14-9-8-13(2)12-17(14)28-20(19)23-18(24)10-11-27-16-7-5-4-6-15(16)22/h4-7,13H,3,8-12H2,1-2H3,(H,23,24)