methyl (7E)-7-[5-[(E)-3-cyclopentyl-3-oxidanyl-prop-1-enyl]-2-oxidanylidene-3-(3-phenylpropylsulfanyl)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-(3-phenylpropylsulfanyl)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-(3-phenylpropylsulfanyl)cyclopent-3-en-1-ylidene]hept-5-ynoate CAS Name: (7E)-7-[5-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-2-oxo-3-(3-phenylpropylthio)-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-(3-phenylpropylsulfanyl)cyclopent-3-en-1-ylidene]hept-5-ynoate Traditional Name: (7E)-7-[5-[(E)-3-cyclopentyl-3-hydroxy-prop-1-enyl]-2-keto-3-(3-phenylpropylthio)cyclopent-3-en-1-ylidene]hept-5-ynoic acid methyl ester Formula: C30H36O4S MolecularWeight: 492.66944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CC=C1C(C=C(C1=O)SCCCC2=CC=CC=C2)C=CC(C3CCCC3)O

Isomeric SMILES

COC(=O)CCCC#C/C=C/1\C(C=C(C1=O)SCCCC2=CC=CC=C2)/C=C/C(C3CCCC3)O

InChI

InChI=1S/C30H36O4S/c1-34-29(32)18-8-3-2-7-17-26-25(19-20-27(31)24-15-9-10-16-24)22-28(30(26)33)35-21-11-14-23-12-5-4-6-13-23/h4-6,12-13,17,19-20,22,24-25,27,31H,3,8-11,14-16,18,21H2,1H3/b20-19+,26-17+