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

Systemtic Name: ethyl 6-bromanyl-2-[(3-chloranyl-4-fluoranyl-phenyl)sulfinylmethyl]-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(3-chloro-4-fluoro-phenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-2-[(3-chloro-4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-[(2-methyl-1-imidazolyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(3-chloro-4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-2-[(3-chloro-4-fluoro-phenyl)sulfinylmethyl]-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C24H22BrClFN3O4S MolecularWeight: 582.869583

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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(=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrClFN3O4S/c1-4-34-24(32)22-20(12-35(33)14-5-6-18(27)17(26)9-14)29(3)19-10-16(25)23(31)15(21(19)22)11-30-8-7-28-13(30)2/h5-10,31H,4,11-12H2,1-3H3