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

Systemtic Name: ethyl 6-bromanyl-4-(imidazol-1-ylmethyl)-2-[(3-methoxyphenyl)sulfinylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-2-[(3-methoxyphenyl)sulfinylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-4-(1-imidazolylmethyl)-2-[(3-methoxyphenyl)sulfinylmethyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-2-[(3-methoxyphenyl)sulfinylmethyl]-1-methylindole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-2-[(3-methoxyphenyl)sulfinylmethyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C24H24BrN3O5S MolecularWeight: 546.43346

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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=CC(=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN3O5S/c1-4-33-24(30)22-20(13-34(31)16-7-5-6-15(10-16)32-3)27(2)19-11-18(25)23(29)17(21(19)22)12-28-9-8-26-14-28/h5-11,14,29H,4,12-13H2,1-3H3