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

Systemtic Name: ethyl 6-bromanyl-2-[(3-fluorophenyl)sulfanylmethyl]-4-(imidazol-1-ylmethyl)-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(3-fluorophenyl)sulfanylmethyl]-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[(3-fluorophenyl)thio]methyl]-5-hydroxy-4-(1-imidazolylmethyl)-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(3-fluorophenyl)sulfanylmethyl]-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[[(3-fluorophenyl)thio]methyl]-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C23H21BrFN3O3S MolecularWeight: 518.398543

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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)CSC4=CC=CC(=C4)F

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3)O)Br)C)CSC4=CC=CC(=C4)F

InChI

InChI=1S/C23H21BrFN3O3S/c1-3-31-23(30)21-19(12-32-15-6-4-5-14(25)9-15)27(2)18-10-17(24)22(29)16(20(18)21)11-28-8-7-26-13-28/h4-10,13,29H,3,11-12H2,1-2H3