(E)-7-[5-[(4-methylphenyl)methylsulfanyl]-2-morpholin-4-yl-3-oxidanylidene-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[5-[(4-methylphenyl)methylsulfanyl]-2-morpholin-4-yl-3-oxidanylidene-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[2-morpholino-3-oxo-5-(p-tolylmethylsulfanyl)cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[5-[(4-methylphenyl)methylthio]-2-(4-morpholinyl)-3-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[5-[(4-methylphenyl)methylsulfanyl]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[3-keto-5-[(4-methylbenzyl)thio]-2-morpholino-cyclopentyl]hept-5-enoic acid Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2CC(=O)C(C2CC=CCCCC(=O)O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2CC(=O)C(C2C/C=C/CCCC(=O)O)N3CCOCC3

InChI

InChI=1S/C24H33NO4S/c1-18-8-10-19(11-9-18)17-30-22-16-21(26)24(25-12-14-29-15-13-25)20(22)6-4-2-3-5-7-23(27)28/h2,4,8-11,20,22,24H,3,5-7,12-17H2,1H3,(H,27,28)/b4-2+