propyl 6-methyl-2-[2,2,3,3,4,4,5,5,5-nonakis(fluoranyl)pentanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl 6-methyl-2-[2,2,3,3,4,4,5,5,5-nonakis(fluoranyl)pentanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 6-methyl-2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[(2,2,3,3,4,4,5,5,5-nonafluoro-1-oxopentyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 6-methyl-2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C18H18F9NO3S MolecularWeight: 499.391049

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18H18F9NO3S/c1-3-6-31-13(29)11-9-5-4-8(2)7-10(9)32-12(11)28-14(30)15(19,20)16(21,22)17(23,24)18(25,26)27/h8H,3-7H2,1-2H3,(H,28,30)