ethyl 6-bromanyl-2-[(4-fluorophenyl)methylsulfanylmethyl]-4-(imidazol-1-ylmethyl)-1-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[(4-fluorophenyl)methylsulfanylmethyl]-4-(imidazol-1-ylmethyl)-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(4-fluorophenyl)methylsulfanylmethyl]-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[(4-fluorophenyl)methylthio]methyl]-5-hydroxy-4-(1-imidazolylmethyl)-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(4-fluorophenyl)methylsulfanylmethyl]-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[[(4-fluorobenzyl)thio]methyl]-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C24H23BrFN3O3S MolecularWeight: 532.425123

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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)C)CSCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3)O)Br)C)CSCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H23BrFN3O3S/c1-3-32-24(31)22-20(13-33-12-15-4-6-16(26)7-5-15)28(2)19-10-18(25)23(30)17(21(19)22)11-29-9-8-27-14-29/h4-10,14,30H,3,11-13H2,1-2H3