S-(methoxymethyl) (E)-7-[2-morpholin-4-yl-3-oxidanylidene-4-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enethioate

Systemtic Name: S-(methoxymethyl) (E)-7-[2-morpholin-4-yl-3-oxidanylidene-4-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enethioate Openeye Name: S-(methoxymethyl) (E)-7-[2-morpholino-3-oxo-4-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enethioate CAS Name: (E)-7-[2-(4-morpholinyl)-3-oxo-4-[(4-phenylphenyl)methoxy]cyclopentyl]-4-heptenethioic acid S-(methoxymethyl) ester IUPAC Name: S-(methoxymethyl) (E)-7-[2-morpholin-4-yl-3-oxo-4-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enethioate Traditional Name: (E)-7-[3-keto-2-morpholino-4-(4-phenylbenzyl)oxy-cyclopentyl]hept-4-enethioic acid S-(methoxymethyl) ester Formula: C31H39NO5S MolecularWeight: 537.71006

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Descriptors Computed from Structure

Canonical SMILES:

COCSC(=O)CCC=CCCC1CC(C(=O)C1N2CCOCC2)OCC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COCSC(=O)CC/C=C/CCC1CC(C(=O)C1N2CCOCC2)OCC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H39NO5S/c1-35-23-38-29(33)12-8-3-2-5-11-27-21-28(31(34)30(27)32-17-19-36-20-18-32)37-22-24-13-15-26(16-14-24)25-9-6-4-7-10-25/h2-4,6-7,9-10,13-16,27-28,30H,5,8,11-12,17-23H2,1H3/b3-2+