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

Systemtic Name: methyl 7-[5-[(E)-3-cyclopentyl-3-oxidanyl-prop-1-enyl]-2-oxidanylidene-3-phenylsulfanyl-cyclopent-3-en-1-yl]-7-oxidanyl-hept-5-ynoate Openeye Name: methyl 7-[5-[(E)-3-cyclopentyl-3-hydroxy-prop-1-enyl]-2-oxo-3-phenylsulfanyl-cyclopent-3-en-1-yl]-7-hydroxy-hept-5-ynoate CAS Name: 7-[5-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-2-oxo-3-(phenylthio)-1-cyclopent-3-enyl]-7-hydroxy-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[5-[(E)-3-cyclopentyl-3-hydroxyprop-1-enyl]-2-oxo-3-phenylsulfanylcyclopent-3-en-1-yl]-7-hydroxyhept-5-ynoate Traditional Name: 7-[5-[(E)-3-cyclopentyl-3-hydroxy-prop-1-enyl]-2-keto-3-(phenylthio)cyclopent-3-en-1-yl]-7-hydroxy-hept-5-ynoic acid methyl ester Formula: C27H32O5S MolecularWeight: 468.60498

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C27H32O5S/c1-32-25(30)15-7-3-6-14-23(29)26-20(16-17-22(28)19-10-8-9-11-19)18-24(27(26)31)33-21-12-4-2-5-13-21/h2,4-5,12-13,16-20,22-23,26,28-29H,3,7-11,15H2,1H3/b17-16+