ethyl 6-bromanyl-2-[(3-chlorophenyl)methylsulfanylmethyl]-1-cyclopropyl-4-(imidazol-1-ylmethyl)-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[(3-chlorophenyl)methylsulfanylmethyl]-1-cyclopropyl-4-(imidazol-1-ylmethyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(3-chlorophenyl)methylsulfanylmethyl]-1-cyclopropyl-5-hydroxy-4-(imidazol-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-2-[[(3-chlorophenyl)methylthio]methyl]-1-cyclopropyl-5-hydroxy-4-(1-imidazolylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(3-chlorophenyl)methylsulfanylmethyl]-1-cyclopropyl-5-hydroxy-4-(imidazol-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-2-[[(3-chlorobenzyl)thio]methyl]-1-cyclopropyl-5-hydroxy-4-(imidazol-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C26H25BrClN3O3S MolecularWeight: 574.917

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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)C4CC4)CSCC5=CC(=CC=C5)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3)O)Br)C4CC4)CSCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H25BrClN3O3S/c1-2-34-26(33)24-22(14-35-13-16-4-3-5-17(28)10-16)31(18-6-7-18)21-11-20(27)25(32)19(23(21)24)12-30-9-8-29-15-30/h3-5,8-11,15,18,32H,2,6-7,12-14H2,1H3