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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=NC3=C(C(=CC(=C3S2)F)F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=NC3=C(C(=CC(=C3S2)F)F)F

InChI

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