(E)-3-phenethyloxy-4-phenylsulfanyl-2-pyridin-2-yl-but-2-enoic acid

Systemtic Name: (E)-3-phenethyloxy-4-phenylsulfanyl-2-pyridin-2-yl-but-2-enoic acid Openeye Name: (E)-3-phenethyloxy-4-phenylsulfanyl-2-(2-pyridyl)but-2-enoic acid CAS Name: (E)-3-phenethyloxy-4-(phenylthio)-2-(2-pyridinyl)-2-butenoic acid IUPAC Name: (E)-3-phenethyloxy-4-phenylsulfanyl-2-pyridin-2-ylbut-2-enoic acid Traditional Name: (E)-3-phenethyloxy-4-(phenylthio)-2-(2-pyridyl)but-2-enoic acid Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=C(C2=CC=CC=N2)C(=O)O)CSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCO/C(=C(\C2=CC=CC=N2)/C(=O)O)/CSC3=CC=CC=C3

InChI

InChI=1S/C23H21NO3S/c25-23(26)22(20-13-7-8-15-24-20)21(17-28-19-11-5-2-6-12-19)27-16-14-18-9-3-1-4-10-18/h1-13,15H,14,16-17H2,(H,25,26)/b22-21+