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

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-2-[(4-fluorophenyl)sulfinylmethyl]-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-4-[(2-methyl-1-imidazolyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C26H25BrFN3O4S MolecularWeight: 574.461803

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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)C4CC4)CS(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C4CC4)CS(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H25BrFN3O4S/c1-3-35-26(33)24-22(14-36(34)18-8-4-16(28)5-9-18)31(17-6-7-17)21-12-20(27)25(32)19(23(21)24)13-30-11-10-29-15(30)2/h4-5,8-12,17,32H,3,6-7,13-14H2,1-2H3