2-[[4-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-methyl-phenyl]amino]propanoic acid

Systemtic Name: 2-[[4-(6-fluoranyl-1,3-benzothiazol-2-yl)-2-methyl-phenyl]amino]propanoic acid Openeye Name: 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-anilino]propanoic acid CAS Name: 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylanilino]propanoic acid IUPAC Name: 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylanilino]propanoic acid Traditional Name: 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-anilino]propionic acid Formula: C17H15FN2O2S MolecularWeight: 330.376603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)NC(C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)NC(C)C(=O)O

InChI

InChI=1S/C17H15FN2O2S/c1-9-7-11(3-5-13(9)19-10(2)17(21)22)16-20-14-6-4-12(18)8-15(14)23-16/h3-8,10,19H,1-2H3,(H,21,22)