(Z)-6-[2-(2-phenylsulfanylpropan-2-yl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid

Systemtic Name: (Z)-6-[2-(2-phenylsulfanylpropan-2-yl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Openeye Name: (Z)-6-[2-(1-methyl-1-phenylsulfanyl-ethyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid CAS Name: (Z)-6-[2-[2-(phenylthio)propan-2-yl]-4-(3-pyridinyl)-1,3-dioxan-5-yl]-4-hexenoic acid IUPAC Name: (Z)-6-[2-(2-phenylsulfanylpropan-2-yl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Traditional Name: (Z)-6-[2-[1-methyl-1-(phenylthio)ethyl]-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1OCC(C(O1)C2=CN=CC=C2)CC=CCCC(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C1OCC(C(O1)C2=CN=CC=C2)C/C=C\CCC(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C24H29NO4S/c1-24(2,30-20-12-6-4-7-13-20)23-28-17-19(10-5-3-8-14-21(26)27)22(29-23)18-11-9-15-25-16-18/h3-7,9,11-13,15-16,19,22-23H,8,10,14,17H2,1-2H3,(H,26,27)/b5-3-