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

Systemtic Name: ethyl 6-bromanyl-2-[(2,4-dimethylphenyl)sulfinylmethyl]-4-(imidazol-1-ylmethyl)-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(2,4-dimethylphenyl)sulfinylmethyl]-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[(2,4-dimethylphenyl)sulfinylmethyl]-5-hydroxy-4-(1-imidazolylmethyl)-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(2,4-dimethylphenyl)sulfinylmethyl]-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[(2,4-dimethylphenyl)sulfinylmethyl]-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C25H26BrN3O4S MolecularWeight: 544.46064

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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=C(C=C(C=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN3O4S/c1-5-33-25(31)23-20(13-34(32)21-7-6-15(2)10-16(21)3)28(4)19-11-18(26)24(30)17(22(19)23)12-29-9-8-27-14-29/h6-11,14,30H,5,12-13H2,1-4H3