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

Systemtic Name: (E)-3-[5-(2-chlorophenyl)sulfanyl-4-methyl-3-phenethyloxy-pyridin-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(2-chlorophenyl)sulfanyl-4-methyl-3-phenethyloxy-2-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[5-[(2-chlorophenyl)thio]-4-methyl-3-phenethyloxy-2-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(2-chlorophenyl)sulfanyl-4-methyl-3-phenethyloxypyridin-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-[(2-chlorophenyl)thio]-4-methyl-3-phenethyloxy-2-pyridyl]acrylic acid Formula: C23H20ClNO3S MolecularWeight: 425.9278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1SC2=CC=CC=C2Cl)C=CC(=O)O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC=C1SC2=CC=CC=C2Cl)/C=C/C(=O)O)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H20ClNO3S/c1-16-21(29-20-10-6-5-9-18(20)24)15-25-19(11-12-22(26)27)23(16)28-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,26,27)/b12-11+