2-[3-bromanyl-4-(2-dimethylaminoethyloxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[3-bromanyl-4-(2-dimethylaminoethyloxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O3S/c1-9-13(15(19)20)22-14(17-9)10-4-5-12(11(16)8-10)21-7-6-18(2)3/h4-5,8H,6-7H2,1-3H3,(H,19,20)