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

Systemtic Name: methyl (E)-7-[5-[(4-methylsulfinylphenyl)methoxy]-2-morpholin-4-yl-3-oxidanylidene-cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[5-[(4-methylsulfinylphenyl)methoxy]-2-morpholino-3-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[5-[(4-methylsulfinylphenyl)methoxy]-2-(4-morpholinyl)-3-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[5-[(4-methylsulfinylphenyl)methoxy]-2-morpholin-4-yl-3-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[3-keto-5-(4-methylsulfinylbenzyl)oxy-2-morpholino-cyclopentyl]hept-5-enoic acid methyl ester Formula: C25H35NO6S MolecularWeight: 477.6135

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(CC(=O)C1N2CCOCC2)OCC3=CC=C(C=C3)S(=O)C

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(CC(=O)C1N2CCOCC2)OCC3=CC=C(C=C3)S(=O)C

InChI

InChI=1S/C25H35NO6S/c1-30-24(28)8-6-4-3-5-7-21-23(17-22(27)25(21)26-13-15-31-16-14-26)32-18-19-9-11-20(12-10-19)33(2)29/h3,5,9-12,21,23,25H,4,6-8,13-18H2,1-2H3/b5-3+