ethyl 6-bromanyl-4-(imidazol-1-ylmethyl)-1-methyl-5-oxidanyl-2-(1-phenylethylsulfinylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(imidazol-1-ylmethyl)-1-methyl-5-oxidanyl-2-(1-phenylethylsulfinylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-(1-phenylethylsulfinylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-4-(1-imidazolylmethyl)-1-methyl-2-(1-phenylethylsulfinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-(1-phenylethylsulfinylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-(1-phenylethylsulfinylmethyl)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)C(C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN3O4S/c1-4-33-25(31)23-21(14-34(32)16(2)17-8-6-5-7-9-17)28(3)20-12-19(26)24(30)18(22(20)23)13-29-11-10-27-15-29/h5-12,15-16,30H,4,13-14H2,1-3H3