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

Systemtic Name: (E)-2-(2-methylpropylsulfanyl)-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-2-isobutylsulfanyl-7-phenyl-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-2-(2-methylpropylthio)-7-phenyl-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-2-(2-methylpropylsulfanyl)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-2-(isobutylthio)-7-phenyl-7-(3-pyridyl)hept-6-enoic acid Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO2S/c1-17(2)16-26-21(22(24)25)13-7-6-12-20(18-9-4-3-5-10-18)19-11-8-14-23-15-19/h3-5,8-12,14-15,17,21H,6-7,13,16H2,1-2H3,(H,24,25)/b20-12+