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

Systemtic Name: ethyl 6-bromanyl-2-[(2-methoxyphenyl)sulfinylmethyl]-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-[(2-methoxyphenyl)sulfinylmethyl]-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[(2-methoxyphenyl)sulfinylmethyl]-1-methyl-4-[(2-methyl-1-imidazolyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-[(2-methoxyphenyl)sulfinylmethyl]-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-[(2-methoxyphenyl)sulfinylmethyl]-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H26BrN3O5S MolecularWeight: 560.46004

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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)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C)CS(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C25H26BrN3O5S/c1-5-34-25(31)23-19(14-35(32)21-9-7-6-8-20(21)33-4)28(3)18-12-17(26)24(30)16(22(18)23)13-29-11-10-27-15(29)2/h6-12,30H,5,13-14H2,1-4H3