ethyl 6-bromanyl-1-cyclopropyl-2-(furan-2-ylmethylsulfinylmethyl)-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-2-(furan-2-ylmethylsulfinylmethyl)-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-2-(2-furylmethylsulfinylmethyl)-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-2-(2-furanylmethylsulfinylmethyl)-5-hydroxy-4-[(2-methyl-1-imidazolyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-2-(furan-2-ylmethylsulfinylmethyl)-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-2-(2-furfurylsulfinylmethyl)-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H26BrN3O5S MolecularWeight: 560.46004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C4CC4)CS(=O)CC5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C4CC4)CS(=O)CC5=CC=CO5

InChI

InChI=1S/C25H26BrN3O5S/c1-3-33-25(31)23-21(14-35(32)13-17-5-4-10-34-17)29(16-6-7-16)20-11-19(26)24(30)18(22(20)23)12-28-9-8-27-15(28)2/h4-5,8-11,16,30H,3,6-7,12-14H2,1-2H3