4-[(5-bromanylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(5-bromanylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(5-bromoindol-1-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(5-bromo-1-indolyl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(5-bromoindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(5-bromoindol-1-yl)methyl]thiazole-2-carboxylic acid Formula: C13H9BrN2O2S MolecularWeight: 337.19176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CC3=CSC(=N3)C(=O)O)C=C1Br

Isomeric SMILES

C1=CC2=C(C=CN2CC3=CSC(=N3)C(=O)O)C=C1Br

InChI

InChI=1S/C13H9BrN2O2S/c14-9-1-2-11-8(5-9)3-4-16(11)6-10-7-19-12(15-10)13(17)18/h1-5,7H,6H2,(H,17,18)