[4-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[3-(1,1,3,3-tetramethylbutylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[3-(2,4,4-trimethylpentan-2-ylamino)-2-imidazo[1,2-a]pyridinyl]phenyl] ester IUPAC Name: [4-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[3-(1,1,3,3-tetramethylbutylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] ester Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)CC(C)(C)NC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C26H29N3O2S/c1-25(2,3)17-26(4,5)28-23-22(27-21-10-6-7-15-29(21)23)18-11-13-19(14-12-18)31-24(30)20-9-8-16-32-20/h6-16,28H,17H2,1-5H3