6-azanyl-2-[[4-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-methyl-phenyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[4-(5-fluoranyl-1,3-benzothiazol-2-yl)-2-methyl-phenyl]amino]hexanoic acid Openeye Name: 6-amino-2-[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methyl-anilino]hexanoic acid CAS Name: 6-amino-2-[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylanilino]hexanoic acid IUPAC Name: 6-amino-2-[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylanilino]hexanoic acid Traditional Name: 6-amino-2-[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methyl-anilino]hexanoic acid Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O2S/c1-12-10-13(19-24-17-11-14(21)6-8-18(17)27-19)5-7-15(12)23-16(20(25)26)4-2-3-9-22/h5-8,10-11,16,23H,2-4,9,22H2,1H3,(H,25,26)