ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[4-[(4-fluorophenyl)thio]-1-oxobutyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-fluorophenyl)sulfanylbutanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-[(4-fluorophenyl)thio]butanoylamino]benzothiophene-3-carboxylic acid ethyl ester Formula: C21H20FNO3S2 MolecularWeight: 417.516803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO3S2/c1-2-26-21(25)19-16-6-3-4-7-17(16)28-20(19)23-18(24)8-5-13-27-15-11-9-14(22)10-12-15/h3-4,6-7,9-12H,2,5,8,13H2,1H3,(H,23,24)