methyl 3-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzothiophene-2-carboxylate CAS Name: 3-[[3-(4-fluorophenyl)sulfonyl-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-fluorophenyl)sulfonylpropanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[3-(4-fluorophenyl)sulfonylpropanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H16FNO5S2 MolecularWeight: 421.462443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FNO5S2/c1-26-19(23)18-17(14-4-2-3-5-15(14)27-18)21-16(22)10-11-28(24,25)13-8-6-12(20)7-9-13/h2-9H,10-11H2,1H3,(H,21,22)