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

Systemtic Name: 2-[3-chloranyl-4-(3-methylbutoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(3-chloro-4-isopentyloxy-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-chloro-4-(3-methylbutoxy)phenyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-chloro-4-(3-methylbutoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(3-chloro-4-isoamoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid Formula: C16H18ClNO3S MolecularWeight: 339.83702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCCC(C)C)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)OCCC(C)C)Cl)C(=O)O

InChI

InChI=1S/C16H18ClNO3S/c1-9(2)6-7-21-13-5-4-11(8-12(13)17)15-18-10(3)14(22-15)16(19)20/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)