methyl (7E)-7-[5-[(E)-3-cyclopentyl-3-oxidanyl-prop-1-enyl]-2-oxidanylidene-3-phenylsulfanyl-cyclopent-3-en-1-ylidene]hept-5-ynoate

Systemtic Name: methyl (7E)-7-[5-[(E)-3-cyclopentyl-3-oxidanyl-prop-1-enyl]-2-oxidanylidene-3-phenylsulfanyl-cyclopent-3-en-1-ylidene]hept-5-ynoate Openeye Name: methyl (7E)-7-[5-[(E)-3-cyclopentyl-3-hydroxy-prop-1-enyl]-2-oxo-3-phenylsulfanyl-cyclopent-3-en-1-ylidene]hept-5-ynoate CAS Name: (7E)-7-[5-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-2-oxo-3-(phenylthio)-1-cyclopent-3-enylidene]-5-heptynoic acid methyl ester IUPAC Name: methyl (7E)-7-[5-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-2-oxo-3-phenylsulfanylcyclopent-3-en-1-ylidene]hept-5-ynoate Traditional Name: (7E)-7-[5-[(E)-3-cyclopentyl-3-hydroxy-prop-1-enyl]-2-keto-3-(phenylthio)cyclopent-3-en-1-ylidene]hept-5-ynoic acid methyl ester Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CC=C1C(C=C(C1=O)SC2=CC=CC=C2)C=CC(C3CCCC3)O

Isomeric SMILES

COC(=O)CCCC#C/C=C/1\C(C=C(C1=O)SC2=CC=CC=C2)/C=C/C(C3CCCC3)O

InChI

InChI=1S/C27H30O4S/c1-31-26(29)16-8-3-2-7-15-23-21(17-18-24(28)20-11-9-10-12-20)19-25(27(23)30)32-22-13-5-4-6-14-22/h4-6,13-15,17-21,24,28H,3,8-12,16H2,1H3/b18-17+,23-15+