ethyl 6-bromanyl-1-cyclopropyl-2-(furan-2-ylmethylsulfinylmethyl)-4-(imidazol-1-ylmethyl)-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-2-(furan-2-ylmethylsulfinylmethyl)-4-(imidazol-1-ylmethyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-2-(2-furylmethylsulfinylmethyl)-5-hydroxy-4-(imidazol-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-2-(2-furanylmethylsulfinylmethyl)-5-hydroxy-4-(1-imidazolylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-2-(furan-2-ylmethylsulfinylmethyl)-5-hydroxy-4-(imidazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-2-(2-furfurylsulfinylmethyl)-5-hydroxy-4-(imidazol-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C24H24BrN3O5S MolecularWeight: 546.43346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3)O)Br)C4CC4)CS(=O)CC5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3)O)Br)C4CC4)CS(=O)CC5=CC=CO5

InChI

InChI=1S/C24H24BrN3O5S/c1-2-32-24(30)22-20(13-34(31)12-16-4-3-9-33-16)28(15-5-6-15)19-10-18(25)23(29)17(21(19)22)11-27-8-7-26-14-27/h3-4,7-10,14-15,29H,2,5-6,11-13H2,1H3