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

Systemtic Name: ethyl 6-bromanyl-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-2-(1-phenoxyethylsulfinylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-(1-phenoxyethylsulfinylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-4-[(2-methyl-1-imidazolyl)methyl]-2-(1-phenoxyethylsulfinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-(1-phenoxyethylsulfinylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-(1-phenoxyethylsulfinylmethyl)indole-3-carboxylic acid ethyl ester Formula: C26H28BrN3O5S MolecularWeight: 574.48662

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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)C)CS(=O)C(C)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C)CS(=O)C(C)OC4=CC=CC=C4

InChI

InChI=1S/C26H28BrN3O5S/c1-5-34-26(32)24-22(15-36(33)17(3)35-18-9-7-6-8-10-18)29(4)21-13-20(27)25(31)19(23(21)24)14-30-12-11-28-16(30)2/h6-13,17,31H,5,14-15H2,1-4H3