2-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-4-methoxyphenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-phenyl]thiazolidine-4-carboxylic acid Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C3NC(CS3)C(=O)O)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)C3NC(CS3)C(=O)O)OC)C)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-9-15(18)10(2)21(20-9)7-12-6-11(4-5-14(12)24-3)16-19-13(8-25-16)17(22)23/h4-6,13,16,19H,7-8H2,1-3H3,(H,22,23)