ethyl 2-benzamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-tris(fluoranyl)propanoate

Systemtic Name: ethyl 2-benzamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-tris(fluoranyl)propanoate Openeye Name: ethyl 2-benzamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-propanoate CAS Name: 2-benzamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoropropanoic acid ethyl ester IUPAC Name: ethyl 2-benzamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoropropanoate Traditional Name: 2-benzamido-2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-propionic acid ethyl ester Formula: C19H16F3N3O3S MolecularWeight: 423.40885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(F)(F)F)(NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H16F3N3O3S/c1-2-28-16(27)18(19(20,21)22,24-15(26)12-8-4-3-5-9-12)25-17-23-13-10-6-7-11-14(13)29-17/h3-11H,2H2,1H3,(H,23,25)(H,24,26)