ethyl 2-[4-[9-(pyridin-2-ylmethylcarbamoyl)fluoren-9-yl]butylsulfanyl]-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 2-[4-[9-(pyridin-2-ylmethylcarbamoyl)fluoren-9-yl]butylsulfanyl]-1H-imidazole-5-carboxylate Openeye Name: ethyl 2-[4-[9-(2-pyridylmethylcarbamoyl)fluoren-9-yl]butylsulfanyl]-1H-imidazole-5-carboxylate CAS Name: 2-[4-[9-[oxo-(2-pyridinylmethylamino)methyl]-9-fluorenyl]butylthio]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[9-(pyridin-2-ylmethylcarbamoyl)fluoren-9-yl]butylsulfanyl]-1H-imidazole-5-carboxylate Traditional Name: 2-[4-[9-(2-pyridylmethylcarbamoyl)fluoren-9-yl]butylthio]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C30H30N4O3S MolecularWeight: 526.6492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N1)SCCCCC2(C3=CC=CC=C3C4=CC=CC=C42)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=CN=C(N1)SCCCCC2(C3=CC=CC=C3C4=CC=CC=C42)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C30H30N4O3S/c1-2-37-27(35)26-20-33-29(34-26)38-18-10-8-16-30(28(36)32-19-21-11-7-9-17-31-21)24-14-5-3-12-22(24)23-13-4-6-15-25(23)30/h3-7,9,11-15,17,20H,2,8,10,16,18-19H2,1H3,(H,32,36)(H,33,34)