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

Systemtic Name: 4-[[5,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-phenyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-keto-butyric acid Formula: C18H14F2N2O3S MolecularWeight: 376.377166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F2N2O3S/c19-11-8-13(20)18-14(9-11)21-15(26-18)10-22(12-4-2-1-3-5-12)16(23)6-7-17(24)25/h1-5,8-9H,6-7,10H2,(H,24,25)