ethyl 6-bromanyl-1-cyclopropyl-4-(imidazol-1-ylmethyl)-5-oxidanyl-2-(1,3-thiazol-4-ylmethylsulfonylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-4-(imidazol-1-ylmethyl)-5-oxidanyl-2-(1,3-thiazol-4-ylmethylsulfonylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-4-(imidazol-1-ylmethyl)-2-(thiazol-4-ylmethylsulfonylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-4-(1-imidazolylmethyl)-2-(4-thiazolylmethylsulfonylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-4-(imidazol-1-ylmethyl)-2-(1,3-thiazol-4-ylmethylsulfonylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-5-hydroxy-4-(imidazol-1-ylmethyl)-2-(thiazol-4-ylmethylsulfonylmethyl)indole-3-carboxylic acid ethyl ester Formula: C23H23BrN4O5S2 MolecularWeight: 579.48652

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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)CS(=O)(=O)CC5=CSC=N5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3)O)Br)C4CC4)CS(=O)(=O)CC5=CSC=N5

InChI

InChI=1S/C23H23BrN4O5S2/c1-2-33-23(30)21-19(11-35(31,32)10-14-9-34-13-26-14)28(15-3-4-15)18-7-17(24)22(29)16(20(18)21)8-27-6-5-25-12-27/h5-7,9,12-13,15,29H,2-4,8,10-11H2,1H3