(E)-3-[5-(2,6-dimethylphenyl)sulfanyl-4-methyl-3-phenethyloxy-pyridin-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(2,6-dimethylphenyl)sulfanyl-4-methyl-3-phenethyloxy-pyridin-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(2,6-dimethylphenyl)sulfanyl-4-methyl-3-phenethyloxy-2-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[5-[(2,6-dimethylphenyl)thio]-4-methyl-3-phenethyloxy-2-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(2,6-dimethylphenyl)sulfanyl-4-methyl-3-phenethyloxypyridin-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-[(2,6-dimethylphenyl)thio]-4-methyl-3-phenethyloxy-2-pyridyl]acrylic acid Formula: C25H25NO3S MolecularWeight: 419.5359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)SC2=CN=C(C(=C2C)OCCC3=CC=CC=C3)C=CC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)SC2=CN=C(C(=C2C)OCCC3=CC=CC=C3)/C=C/C(=O)O

InChI

InChI=1S/C25H25NO3S/c1-17-8-7-9-18(2)25(17)30-22-16-26-21(12-13-23(27)28)24(19(22)3)29-15-14-20-10-5-4-6-11-20/h4-13,16H,14-15H2,1-3H3,(H,27,28)/b13-12+