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

Systemtic Name: methyl (E)-2-methylsulfanyl-7-[2-morpholin-4-yl-3-oxidanylidene-5-[(E)-3-phenylprop-2-enoxy]cyclopentyl]hept-4-enoate Openeye Name: methyl (E)-7-[5-[(E)-cinnamyl]oxy-2-morpholino-3-oxo-cyclopentyl]-2-methylsulfanyl-hept-4-enoate CAS Name: (E)-2-(methylthio)-7-[2-(4-morpholinyl)-3-oxo-5-[(E)-3-phenylprop-2-enoxy]cyclopentyl]-4-heptenoic acid methyl ester IUPAC Name: methyl (E)-2-methylsulfanyl-7-[2-morpholin-4-yl-3-oxo-5-[(E)-3-phenylprop-2-enoxy]cyclopentyl]hept-4-enoate Traditional Name: (E)-7-[5-[(E)-cinnamyl]oxy-3-keto-2-morpholino-cyclopentyl]-2-(methylthio)hept-4-enoic acid methyl ester Formula: C27H37NO5S MolecularWeight: 487.65138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=CCCC1C(CC(=O)C1N2CCOCC2)OCC=CC3=CC=CC=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO5S/c1-31-27(30)25(34-2)14-8-4-7-13-22-24(33-17-9-12-21-10-5-3-6-11-21)20-23(29)26(22)28-15-18-32-19-16-28/h3-6,8-12,22,24-26H,7,13-20H2,1-2H3/b8-4+,12-9+