(E)-3-[6-[(2-chlorophenyl)sulfanylmethyl]-3-phenethyloxy-pyridin-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[6-[(2-chlorophenyl)sulfanylmethyl]-3-phenethyloxy-pyridin-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-[(2-chlorophenyl)sulfanylmethyl]-3-phenethyloxy-2-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[6-[[(2-chlorophenyl)thio]methyl]-3-phenethyloxy-2-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[6-[(2-chlorophenyl)sulfanylmethyl]-3-phenethyloxypyridin-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-[[(2-chlorophenyl)thio]methyl]-3-phenethyloxy-2-pyridyl]acrylic acid Formula: C23H20ClNO3S MolecularWeight: 425.9278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(N=C(C=C2)CSC3=CC=CC=C3Cl)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(N=C(C=C2)CSC3=CC=CC=C3Cl)/C=C/C(=O)O

InChI

InChI=1S/C23H20ClNO3S/c24-19-8-4-5-9-22(19)29-16-18-10-12-21(20(25-18)11-13-23(26)27)28-15-14-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,26,27)/b13-11+