(phenylmethyl) 4-[6-[2,2,2-tris(fluoranyl)ethanoyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[6-[2,2,2-tris(fluoranyl)ethanoyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[6-(2,2,2-trifluoroacetyl)-4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-2-yl]piperidine-1-carboxylate CAS Name: 4-[6-(2,2,2-trifluoro-1-oxoethyl)-4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-2-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[6-(2,2,2-trifluoroacetyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[6-(2,2,2-trifluoroacetyl)-4,5,7,8-tetrahydrothiazol[4,5-d]azepin-2-yl]piperidine-1-carboxylic acid benzyl ester Formula: C22H24F3N3O3S MolecularWeight: 467.50447

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(S2)CCN(CC3)C(=O)C(F)(F)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C2=NC3=C(S2)CCN(CC3)C(=O)C(F)(F)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H24F3N3O3S/c23-22(24,25)20(29)27-12-8-17-18(9-13-27)32-19(26-17)16-6-10-28(11-7-16)21(30)31-14-15-4-2-1-3-5-15/h1-5,16H,6-14H2