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

Systemtic Name: ethyl 4-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(3-bromophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-bromo-N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxo-butanoate CAS Name: 4-[3-bromo-N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-bromo-N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoate Traditional Name: 4-[3-bromo-N-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-keto-butyric acid ethyl ester Formula: C20H17BrF2N2O3S MolecularWeight: 483.326386

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrF2N2O3S/c1-2-28-18(27)9-8-17(26)25(13-5-3-4-12(21)10-13)11-16-24-20-15(29-16)7-6-14(22)19(20)23/h3-7,10H,2,8-9,11H2,1H3