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

Systemtic Name: methyl (E)-2-ethanoylsulfanyl-7-[2-morpholin-4-yl-3-oxidanylidene-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate Openeye Name: methyl (E)-2-acetylsulfanyl-7-[2-morpholino-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate CAS Name: (E)-2-(acetylthio)-7-[2-(4-morpholinyl)-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]-4-heptenoic acid methyl ester IUPAC Name: methyl (E)-2-acetylsulfanyl-7-[2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoate Traditional Name: (E)-2-(acetylthio)-7-[3-keto-2-morpholino-5-(4-phenylbenzyl)oxy-cyclopentyl]hept-4-enoic acid methyl ester Formula: C32H39NO6S MolecularWeight: 565.72016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC=CCCC1C(CC(=O)C1N2CCOCC2)OCC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(=O)SC(C/C=C/CCC1C(CC(=O)C1N2CCOCC2)OCC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C32H39NO6S/c1-23(34)40-30(32(36)37-2)12-8-4-7-11-27-29(21-28(35)31(27)33-17-19-38-20-18-33)39-22-24-13-15-26(16-14-24)25-9-5-3-6-10-25/h3-6,8-10,13-16,27,29-31H,7,11-12,17-22H2,1-2H3/b8-4+