methyl 2-acetamido-4-[[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-acetamido-4-[[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 2-acetamido-4-[[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxo-butanoate CAS Name: 2-acetamido-4-[[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-acetamido-4-[[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoate Traditional Name: 2-acetamido-4-[[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid methyl ester Formula: C16H17F2N3O4S2 MolecularWeight: 417.450686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(F)F)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(F)F)C(=O)OC

InChI

InChI=1S/C16H17F2N3O4S2/c1-8(22)19-11(15(24)25-2)6-14(23)20-9-3-4-10-12(5-9)27-16(21-10)26-7-13(17)18/h3-5,11,13H,6-7H2,1-2H3,(H,19,22)(H,20,23)