2-methyloct-5-yn-4-yl 2-phenylsulfanylethanoate

Systemtic Name: 2-methyloct-5-yn-4-yl 2-phenylsulfanylethanoate Openeye Name: 1-isobutylpent-2-ynyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid 2-methyloct-5-yn-4-yl ester IUPAC Name: 2-methyloct-5-yn-4-yl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid 1-isobutylpent-2-ynyl ester Formula: C17H22O2S MolecularWeight: 290.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(CC(C)C)OC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCC#CC(CC(C)C)OC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C17H22O2S/c1-4-5-9-15(12-14(2)3)19-17(18)13-20-16-10-7-6-8-11-16/h6-8,10-11,14-15H,4,12-13H2,1-3H3