[4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[6-bromanyl-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[6-bromo-3-(cyclohexylamino)-2-imidazo[1,2-a]pyridinyl]-2-methoxyphenyl] ester IUPAC Name: [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[6-bromo-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxy-phenyl] ester Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4)OC(=O)C5=CC=CS5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)Br)NC4CCCCC4)OC(=O)C5=CC=CS5

InChI

InChI=1S/C25H24BrN3O3S/c1-31-20-14-16(9-11-19(20)32-25(30)21-8-5-13-33-21)23-24(27-18-6-3-2-4-7-18)29-15-17(26)10-12-22(29)28-23/h5,8-15,18,27H,2-4,6-7H2,1H3