2-[4-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[4-(2-benzylsulfanyl-5-chloro-phenyl)thiazol-2-yl]acetic acid CAS Name: 2-[4-[5-chloro-2-(phenylmethylthio)phenyl]-2-thiazolyl]acetic acid IUPAC Name: 2-[4-(2-benzylsulfanyl-5-chlorophenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[4-[2-(benzylthio)-5-chloro-phenyl]thiazol-2-yl]acetic acid Formula: C18H14ClNO2S2 MolecularWeight: 375.89226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)Cl)C3=CSC(=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)Cl)C3=CSC(=N3)CC(=O)O

InChI

InChI=1S/C18H14ClNO2S2/c19-13-6-7-16(23-10-12-4-2-1-3-5-12)14(8-13)15-11-24-17(20-15)9-18(21)22/h1-8,11H,9-10H2,(H,21,22)