ethyl 4-[[5,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(3-ethylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(3-ethylsulfanylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-ethylsulfanyl-anilino]-4-oxo-butanoate CAS Name: 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-(ethylthio)anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-ethylsulfanylanilino]-4-oxobutanoate Traditional Name: 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-(ethylthio)anilino]-4-keto-butyric acid ethyl ester Formula: C22H22F2N2O3S2 MolecularWeight: 464.548486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC1=NC2=CC(=CC(=C2S1)F)F)C3=CC(=CC=C3)SCC

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC1=NC2=CC(=CC(=C2S1)F)F)C3=CC(=CC=C3)SCC

InChI

InChI=1S/C22H22F2N2O3S2/c1-3-29-21(28)9-8-20(27)26(15-6-5-7-16(12-15)30-4-2)13-19-25-18-11-14(23)10-17(24)22(18)31-19/h5-7,10-12H,3-4,8-9,13H2,1-2H3