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

Systemtic Name: ethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(4-fluorophenyl)thio]propanoylamino]benzothiophene-3-carboxylic acid ethyl ester Formula: C20H18FNO3S2 MolecularWeight: 403.490223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FNO3S2/c1-2-25-20(24)18-15-5-3-4-6-16(15)27-19(18)22-17(23)11-12-26-14-9-7-13(21)8-10-14/h3-10H,2,11-12H2,1H3,(H,22,23)