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

Systemtic Name: 2-[5-chloranyl-2-(3-phenylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[5-chloro-2-(3-phenylpropoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[5-chloro-2-(3-phenylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[5-chloro-2-(3-phenylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[5-chloro-2-(3-phenylpropoxy)phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C20H18ClNO3S MolecularWeight: 387.87982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=C(C=CC(=C2)Cl)OCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18ClNO3S/c1-13-18(20(23)24)26-19(22-13)16-12-15(21)9-10-17(16)25-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,23,24)