3-oxidanylidene-2-phenylazanyl-5-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]pentanoic acid

Systemtic Name: 3-oxidanylidene-2-phenylazanyl-5-[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]pentanoic acid Openeye Name: 2-anilino-3-oxo-5-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)pentanoic acid CAS Name: 2-anilino-3-oxo-5-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)pentanoic acid IUPAC Name: 2-anilino-3-oxo-5-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)pentanoic acid Traditional Name: 2-anilino-3-keto-5-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)valeric acid Formula: C18H13F3N2O3S MolecularWeight: 394.36763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(C(=O)CCC2=NC3=C(C(=CC(=C3S2)F)F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(C(=O)CCC2=NC3=C(C(=CC(=C3S2)F)F)F)C(=O)O

InChI

InChI=1S/C18H13F3N2O3S/c19-10-8-11(20)17-16(14(10)21)23-13(27-17)7-6-12(24)15(18(25)26)22-9-4-2-1-3-5-9/h1-5,8,15,22H,6-7H2,(H,25,26)