4-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-[(2S)-2-oxidanylpropoxy]-1,2-benzothiazole-5-carboxamide

Systemtic Name: 4-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-[(2S)-2-oxidanylpropoxy]-1,2-benzothiazole-5-carboxamide Openeye Name: 4-(2-fluoro-4-iodo-anilino)-N-[(2S)-2-hydroxypropoxy]-1,2-benzothiazole-5-carboxamide CAS Name: 4-(2-fluoro-4-iodoanilino)-N-[(2S)-2-hydroxypropoxy]-1,2-benzothiazole-5-carboxamide IUPAC Name: 4-(2-fluoro-4-iodoanilino)-N-[(2S)-2-hydroxypropoxy]-1,2-benzothiazole-5-carboxamide Traditional Name: 4-(2-fluoro-4-iodo-anilino)-N-[(2S)-2-hydroxypropoxy]-1,2-benzothiazole-5-carboxamide Formula: C17H15FIN3O3S MolecularWeight: 487.287173

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Descriptors Computed from Structure

Canonical SMILES:

CC(CONC(=O)C1=C(C2=C(C=C1)SN=C2)NC3=C(C=C(C=C3)I)F)O

Isomeric SMILES

C[C@@H](CONC(=O)C1=C(C2=C(C=C1)SN=C2)NC3=C(C=C(C=C3)I)F)O

InChI

InChI=1S/C17H15FIN3O3S/c1-9(23)8-25-22-17(24)11-3-5-15-12(7-20-26-15)16(11)21-14-4-2-10(19)6-13(14)18/h2-7,9,21,23H,8H2,1H3,(H,22,24)/t9-/m0/s1