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

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-4-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-2-(1,3-thiazol-4-ylmethylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]-2-(thiazol-4-ylmethylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-4-[(2-methyl-1-imidazolyl)methyl]-2-[(4-thiazolylmethylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-5-hydroxy-4-[(2-methylimidazol-1-yl)methyl]-2-[(thiazol-4-ylmethylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C24H25BrN4O3S2 MolecularWeight: 561.5143

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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)CSCC5=CSC=N5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C4CC4)CSCC5=CSC=N5

InChI

InChI=1S/C24H25BrN4O3S2/c1-3-32-24(31)22-20(12-33-10-15-11-34-13-27-15)29(16-4-5-16)19-8-18(25)23(30)17(21(19)22)9-28-7-6-26-14(28)2/h6-8,11,13,16,30H,3-5,9-10,12H2,1-2H3