(Z)-8-[2-methylpropanoyl-[4-(3-methylsulfanyl-1-oxidanyl-propyl)phenyl]amino]oct-5-enoic acid

Systemtic Name: (Z)-8-[2-methylpropanoyl-[4-(3-methylsulfanyl-1-oxidanyl-propyl)phenyl]amino]oct-5-enoic acid Openeye Name: (Z)-8-[4-(1-hydroxy-3-methylsulfanyl-propyl)-N-(2-methylpropanoyl)anilino]oct-5-enoic acid CAS Name: (Z)-8-[4-[1-hydroxy-3-(methylthio)propyl]-N-(2-methyl-1-oxopropyl)anilino]-5-octenoic acid IUPAC Name: (Z)-8-[4-(1-hydroxy-3-methylsulfanylpropyl)-N-(2-methylpropanoyl)anilino]oct-5-enoic acid Traditional Name: (Z)-8-[4-[1-hydroxy-3-(methylthio)propyl]-N-isobutyryl-anilino]oct-5-enoic acid Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCC=CCCCC(=O)O)C1=CC=C(C=C1)C(CCSC)O

Isomeric SMILES

CC(C)C(=O)N(CC/C=C\CCCC(=O)O)C1=CC=C(C=C1)C(CCSC)O

InChI

InChI=1S/C22H33NO4S/c1-17(2)22(27)23(15-8-6-4-5-7-9-21(25)26)19-12-10-18(11-13-19)20(24)14-16-28-3/h4,6,10-13,17,20,24H,5,7-9,14-16H2,1-3H3,(H,25,26)/b6-4-