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

Systemtic Name: 2-[2-(1,2-benzothiazol-3-yl)-4-phenyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(1,2-benzothiazol-3-yl)-4-phenyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-(1,2-benzothiazol-3-yl)-4-phenyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(1,2-benzothiazol-3-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-(1,2-benzothiazol-3-yl)-4-phenyl-thiazol-5-yl]acetic acid Formula: C18H12N2O2S2 MolecularWeight: 352.43008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=N2)C3=NSC4=CC=CC=C43)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=N2)C3=NSC4=CC=CC=C43)CC(=O)O

InChI

InChI=1S/C18H12N2O2S2/c21-15(22)10-14-16(11-6-2-1-3-7-11)19-18(23-14)17-12-8-4-5-9-13(12)24-20-17/h1-9H,10H2,(H,21,22)