methyl 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-fluorophenyl)sulfonyl-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H20FNO5S2 MolecularWeight: 425.494203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FNO5S2/c1-26-19(23)17-14-4-2-3-5-15(14)27-18(17)21-16(22)10-11-28(24,25)13-8-6-12(20)7-9-13/h6-9H,2-5,10-11H2,1H3,(H,21,22)