3,4-bis(fluoranyl)-2-[(2-methyl-4-methylsulfanyl-phenyl)amino]benzoic acid

Systemtic Name: 3,4-bis(fluoranyl)-2-[(2-methyl-4-methylsulfanyl-phenyl)amino]benzoic acid Openeye Name: 3,4-difluoro-2-(2-methyl-4-methylsulfanyl-anilino)benzoic acid CAS Name: 3,4-difluoro-2-[2-methyl-4-(methylthio)anilino]benzoic acid IUPAC Name: 3,4-difluoro-2-(2-methyl-4-methylsulfanylanilino)benzoic acid Traditional Name: 3,4-difluoro-2-[2-methyl-4-(methylthio)anilino]benzoic acid Formula: C15H13F2NO2S MolecularWeight: 309.331026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC)NC2=C(C=CC(=C2F)F)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC)NC2=C(C=CC(=C2F)F)C(=O)O

InChI

InChI=1S/C15H13F2NO2S/c1-8-7-9(21-2)3-6-12(8)18-14-10(15(19)20)4-5-11(16)13(14)17/h3-7,18H,1-2H3,(H,19,20)