(E)-2-methylsulfanyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (E)-2-methylsulfanyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-2-methylsulfanyl-7-phenyl-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-2-(methylthio)-7-phenyl-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-2-methylsulfanyl-7-phenyl-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-2-(methylthio)-7-phenyl-7-(3-pyridyl)hept-6-enoic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CCCC=C(C1=CC=CC=C1)C2=CN=CC=C2)C(=O)O

Isomeric SMILES

CSC(CCC/C=C(\C1=CC=CC=C1)/C2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C19H21NO2S/c1-23-18(19(21)22)12-6-5-11-17(15-8-3-2-4-9-15)16-10-7-13-20-14-16/h2-4,7-11,13-14,18H,5-6,12H2,1H3,(H,21,22)/b17-11+