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

Systemtic Name: methyl (E)-7-[5-[(4-methylphenyl)methylsulfanyl]-2-morpholin-4-yl-3-oxidanylidene-cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[2-morpholino-3-oxo-5-(p-tolylmethylsulfanyl)cyclopentyl]hept-5-enoate CAS Name: (E)-7-[5-[(4-methylphenyl)methylthio]-2-(4-morpholinyl)-3-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[5-[(4-methylphenyl)methylsulfanyl]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[3-keto-5-[(4-methylbenzyl)thio]-2-morpholino-cyclopentyl]hept-5-enoic acid methyl ester Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO4S/c1-19-9-11-20(12-10-19)18-31-23-17-22(27)25(26-13-15-30-16-14-26)21(23)7-5-3-4-6-8-24(28)29-2/h3,5,9-12,21,23,25H,4,6-8,13-18H2,1-2H3/b5-3+