2-[(3-bromophenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[(3-bromophenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(3-bromophenyl)methylamino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[(3-bromophenyl)methylamino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[(3-bromophenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(3-bromobenzyl)amino]-4-methyl-thiazole-5-carboxylic acid Formula: C12H11BrN2O2S MolecularWeight: 327.19694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NCC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C12H11BrN2O2S/c1-7-10(11(16)17)18-12(15-7)14-6-8-3-2-4-9(13)5-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)