methyl 4-chloranyl-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-chloranyl-3-[2-[3-(trifluoromethyl)phenyl]sulfonylethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-[3-(trifluoromethyl)phenyl]sulfonylacetyl]amino]benzothiophene-2-carboxylate CAS Name: 4-chloro-3-[[1-oxo-2-[3-(trifluoromethyl)phenyl]sulfonylethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[3-(trifluoromethyl)phenyl]sulfonylacetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 4-chloro-3-[[2-[3-(trifluoromethyl)phenyl]sulfonylacetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H13ClF3NO5S2 MolecularWeight: 491.88843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=CC=C2Cl)NC(=O)CS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=CC=C2Cl)NC(=O)CS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H13ClF3NO5S2/c1-29-18(26)17-16(15-12(20)6-3-7-13(15)30-17)24-14(25)9-31(27,28)11-5-2-4-10(8-11)19(21,22)23/h2-8H,9H2,1H3,(H,24,25)