ethyl 6-bromanyl-4-(imidazol-1-ylmethyl)-1-methyl-5-oxidanyl-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(imidazol-1-ylmethyl)-1-methyl-5-oxidanyl-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-4-(1-imidazolylmethyl)-1-methyl-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-[[4-(trifluoromethyl)phenyl]sulfinylmethyl]indole-3-carboxylic acid ethyl ester Formula: C24H21BrF3N3O4S MolecularWeight: 584.40545

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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)CS(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrF3N3O4S/c1-3-35-23(33)21-19(12-36(34)15-6-4-14(5-7-15)24(26,27)28)30(2)18-10-17(25)22(32)16(20(18)21)11-31-9-8-29-13-31/h4-10,13,32H,3,11-12H2,1-2H3