methyl 2-acetamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-tris(fluoranyl)propanoate

Systemtic Name: methyl 2-acetamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-tris(fluoranyl)propanoate Openeye Name: methyl 2-acetamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-propanoate CAS Name: 2-acetamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoropropanoic acid methyl ester IUPAC Name: methyl 2-acetamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoropropanoate Traditional Name: 2-acetamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid methyl ester Formula: C13H12F3N3O3S MolecularWeight: 347.31289

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H12F3N3O3S/c1-7(20)18-12(10(21)22-2,13(14,15)16)19-11-17-8-5-3-4-6-9(8)23-11/h3-6H,1-2H3,(H,17,19)(H,18,20)