4-oxidanylidene-4-[(4-propylphenyl)-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(4-propylphenyl)-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]amino]butanoic acid Openeye Name: 4-oxo-4-[4-propyl-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]butanoic acid CAS Name: 4-oxo-4-[4-propyl-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]butanoic acid IUPAC Name: 4-oxo-4-[4-propyl-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]butanoic acid Traditional Name: 4-keto-4-[4-propyl-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]butyric acid Formula: C21H19F3N2O3S MolecularWeight: 436.44737

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)N(CC2=NC3=C(C(=CC(=C3S2)F)F)F)C(=O)CCC(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)N(CC2=NC3=C(C(=CC(=C3S2)F)F)F)C(=O)CCC(=O)O

InChI

InChI=1S/C21H19F3N2O3S/c1-2-3-12-4-6-13(7-5-12)26(17(27)8-9-18(28)29)11-16-25-20-19(24)14(22)10-15(23)21(20)30-16/h4-7,10H,2-3,8-9,11H2,1H3,(H,28,29)