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

Systemtic Name: 2-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[(2-benzyloxy-5-chloro-phenyl)methyl]thiazole-4-carboxylic acid CAS Name: 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-(2-benzoxy-5-chloro-benzyl)thiazole-4-carboxylic acid Formula: C18H14ClNO3S MolecularWeight: 359.82666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=NC(=CS3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)CC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C18H14ClNO3S/c19-14-6-7-16(23-10-12-4-2-1-3-5-12)13(8-14)9-17-20-15(11-24-17)18(21)22/h1-8,11H,9-10H2,(H,21,22)