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

Systemtic Name: 4-[(2-methylphenyl)-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-methyl-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[2-methyl-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-methyl-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-methyl-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]butyric acid Formula: C19H15F3N2O3S MolecularWeight: 408.39421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC2=NC3=C(C(=CC(=C3S2)F)F)F)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N(CC2=NC3=C(C(=CC(=C3S2)F)F)F)C(=O)CCC(=O)O

InChI

InChI=1S/C19H15F3N2O3S/c1-10-4-2-3-5-13(10)24(15(25)6-7-16(26)27)9-14-23-18-17(22)11(20)8-12(21)19(18)28-14/h2-5,8H,6-7,9H2,1H3,(H,26,27)