2-azanylpropanoic acid; 4-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-methyl-aniline

Systemtic Name: 2-azanylpropanoic acid; 4-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-methyl-aniline Openeye Name: 2-aminopropanoic acid; 4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methyl-aniline CAS Name: 2-aminopropanoic acid; 4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline IUPAC Name: 2-aminopropanoic acid; 4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline Traditional Name: 2-aminopropionic acid; [4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methyl-phenyl]amine Formula: C17H18FN3O2S MolecularWeight: 347.407123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11FN2S.C3H7NO2/c1-8-6-9(2-4-11(8)16)14-17-12-7-10(15)3-5-13(12)18-14;1-2(4)3(5)6/h2-7H,16H2,1H3;2H,4H2,1H3,(H,5,6)