4-[[6,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(3-ethylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(3-ethylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[N-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-ethyl-anilino]-4-oxo-butanoic acid CAS Name: 4-[N-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-ethylanilino]-4-oxobutanoic acid IUPAC Name: 4-[N-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-ethylanilino]-4-oxobutanoic acid Traditional Name: 4-[N-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-ethyl-anilino]-4-keto-butyric acid Formula: C20H18F2N2O3S MolecularWeight: 404.430326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N(CC2=NC3=C(S2)C(=C(C=C3)F)F)C(=O)CCC(=O)O

Isomeric SMILES

CCC1=CC(=CC=C1)N(CC2=NC3=C(S2)C(=C(C=C3)F)F)C(=O)CCC(=O)O

InChI

InChI=1S/C20H18F2N2O3S/c1-2-12-4-3-5-13(10-12)24(17(25)8-9-18(26)27)11-16-23-15-7-6-14(21)19(22)20(15)28-16/h3-7,10H,2,8-9,11H2,1H3,(H,26,27)