2-acetamido-N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide

Systemtic Name: 2-acetamido-N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Openeye Name: 2-acetamido-N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide CAS Name: 2-acetamido-N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-4-methyl-4-pentenamide IUPAC Name: 2-acetamido-N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methylpent-4-enamide Traditional Name: 2-acetamido-N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Formula: C17H19F2N3O2S2 MolecularWeight: 399.478466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F2N3O2S2/c1-9(2)6-13(20-10(3)23)16(24)21-11-4-5-12-14(7-11)26-17(22-12)25-8-15(18)19/h4-5,7,13,15H,1,6,8H2,2-3H3,(H,20,23)(H,21,24)