ethyl 2-[2-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxyethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxyethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]oxyacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-fluoro-3-piperidinosulfonyl-benzoyl)oxyacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H27FN2O7S2 MolecularWeight: 526.598083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27FN2O7S2/c1-4-32-23(29)20-14(2)15(3)34-21(20)25-19(27)13-33-22(28)16-8-9-17(24)18(12-16)35(30,31)26-10-6-5-7-11-26/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,25,27)