ethyl 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3,3,3-tris(fluoranyl)-2-(pentanoylamino)propanoate

Systemtic Name: ethyl 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3,3,3-tris(fluoranyl)-2-(pentanoylamino)propanoate Openeye Name: ethyl 2-[(4-cyclopropylthiazol-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate CAS Name: 2-[(4-cyclopropyl-2-thiazolyl)amino]-3,3,3-trifluoro-2-(1-oxopentylamino)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3,3,3-trifluoro-2-(pentanoylamino)propanoate Traditional Name: 2-[(4-cyclopropylthiazol-2-yl)amino]-3,3,3-trifluoro-2-(valerylamino)propionic acid ethyl ester Formula: C16H22F3N3O3S MolecularWeight: 393.42439

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC(=CS1)C2CC2

Isomeric SMILES

CCCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC(=CS1)C2CC2

InChI

InChI=1S/C16H22F3N3O3S/c1-3-5-6-12(23)21-15(16(17,18)19,13(24)25-4-2)22-14-20-11(9-26-14)10-7-8-10/h9-10H,3-8H2,1-2H3,(H,20,22)(H,21,23)