3-[[2,4-bis(fluoranyl)phenyl]methyl-butanoyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[2,4-bis(fluoranyl)phenyl]methyl-butanoyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[butanoyl-[(2,4-difluorophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2,4-difluorophenyl)methyl-(1-oxobutyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[butanoyl-[(2,4-difluorophenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[butyryl-(2,4-difluorobenzyl)amino]-5-phenyl-2-thenoic acid Formula: C22H19F2NO3S MolecularWeight: 415.452966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=C(C=C(C=C1)F)F)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC(=O)N(CC1=C(C=C(C=C1)F)F)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H19F2NO3S/c1-2-6-20(26)25(13-15-9-10-16(23)11-17(15)24)18-12-19(29-21(18)22(27)28)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3,(H,27,28)