(E)-3-(5-methyl-1,3-thiazol-2-yl)-4-(2-phenylmethoxyphenyl)but-2-enoic acid

Systemtic Name: (E)-3-(5-methyl-1,3-thiazol-2-yl)-4-(2-phenylmethoxyphenyl)but-2-enoic acid Openeye Name: (E)-4-(2-benzyloxyphenyl)-3-(5-methylthiazol-2-yl)but-2-enoic acid CAS Name: (E)-3-(5-methyl-2-thiazolyl)-4-(2-phenylmethoxyphenyl)-2-butenoic acid IUPAC Name: (E)-3-(5-methyl-1,3-thiazol-2-yl)-4-(2-phenylmethoxyphenyl)but-2-enoic acid Traditional Name: (E)-4-(2-benzoxyphenyl)-3-(5-methylthiazol-2-yl)but-2-enoic acid Formula: C21H19NO3S MolecularWeight: 365.44546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)C(=CC(=O)O)CC2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CC1=CN=C(S1)/C(=C/C(=O)O)/CC2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO3S/c1-15-13-22-21(26-15)18(12-20(23)24)11-17-9-5-6-10-19(17)25-14-16-7-3-2-4-8-16/h2-10,12-13H,11,14H2,1H3,(H,23,24)/b18-12+