methyl 2-(5-ethylsulfanylpent-1-ynyl)benzoate

Systemtic Name: methyl 2-(5-ethylsulfanylpent-1-ynyl)benzoate Openeye Name: methyl 2-(5-ethylsulfanylpent-1-ynyl)benzoate CAS Name: 2-[5-(ethylthio)pent-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-(5-ethylsulfanylpent-1-ynyl)benzoate Traditional Name: 2-[5-(ethylthio)pent-1-ynyl]benzoic acid methyl ester Formula: C15H18O2S MolecularWeight: 262.36722

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCCC#CC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCSCCCC#CC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C15H18O2S/c1-3-18-12-8-4-5-9-13-10-6-7-11-14(13)15(16)17-2/h6-7,10-11H,3-4,8,12H2,1-2H3