2-phenylsulfanyl-5-[[3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]benzoic acid

Systemtic Name: 2-phenylsulfanyl-5-[[3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]benzoic acid Openeye Name: 2-phenylsulfanyl-5-[(3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl)amino]benzoic acid CAS Name: 2-(phenylthio)-5-[(3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 2-phenylsulfanyl-5-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzoic acid Traditional Name: 2-(phenylthio)-5-[(3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl)amino]benzoic acid Formula: C17H14F3NO4S MolecularWeight: 385.35757

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)SC2=CC=CC=C2)C(=O)O)(C(F)(F)F)O

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)SC2=CC=CC=C2)C(=O)O)(C(F)(F)F)O

InChI

InChI=1S/C17H14F3NO4S/c1-16(25,17(18,19)20)15(24)21-10-7-8-13(12(9-10)14(22)23)26-11-5-3-2-4-6-11/h2-9,25H,1H3,(H,21,24)(H,22,23)