ethyl 4-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-phenyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-phenyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxo-butanoate CAS Name: 4-[N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoate Traditional Name: 4-[N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-keto-butyric acid ethyl ester Formula: C20H18F2N2O3S MolecularWeight: 404.430326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC1=NC2=C(S1)C=CC(=C2F)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC1=NC2=C(S1)C=CC(=C2F)F)C3=CC=CC=C3

InChI

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