ethyl (E)-6-[3-(4-methylphenyl)prop-2-ynylsulfanyl]hex-2-en-4-ynoate

Systemtic Name: ethyl (E)-6-[3-(4-methylphenyl)prop-2-ynylsulfanyl]hex-2-en-4-ynoate Openeye Name: ethyl (E)-6-[3-(p-tolyl)prop-2-ynylsulfanyl]hex-2-en-4-ynoate CAS Name: (E)-6-[3-(4-methylphenyl)prop-2-ynylthio]hex-2-en-4-ynoic acid ethyl ester IUPAC Name: ethyl (E)-6-[3-(4-methylphenyl)prop-2-ynylsulfanyl]hex-2-en-4-ynoate Traditional Name: (E)-6-[3-(p-tolyl)prop-2-ynylthio]hex-2-en-4-ynoic acid ethyl ester Formula: C18H18O2S MolecularWeight: 298.39932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC#CCSCC#CC1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)/C=C/C#CCSCC#CC1=CC=C(C=C1)C

InChI

InChI=1S/C18H18O2S/c1-3-20-18(19)9-5-4-6-14-21-15-7-8-17-12-10-16(2)11-13-17/h5,9-13H,3,14-15H2,1-2H3/b9-5+