methyl 2-cyano-2-(2-hepta-1,3,5-triynylsulfanylphenyl)ethanoate

Systemtic Name: methyl 2-cyano-2-(2-hepta-1,3,5-triynylsulfanylphenyl)ethanoate Openeye Name: methyl 2-cyano-2-(2-hepta-1,3,5-triynylsulfanylphenyl)acetate CAS Name: 2-cyano-2-[2-(hepta-1,3,5-triynylthio)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-(2-hepta-1,3,5-triynylsulfanylphenyl)acetate Traditional Name: 2-cyano-2-[2-(hepta-1,3,5-triynylthio)phenyl]acetic acid methyl ester Formula: C17H11NO2S MolecularWeight: 293.33974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC#CC#CSC1=CC=CC=C1C(C#N)C(=O)OC

Isomeric SMILES

CC#CC#CC#CSC1=CC=CC=C1C(C#N)C(=O)OC

InChI

InChI=1S/C17H11NO2S/c1-3-4-5-6-9-12-21-16-11-8-7-10-14(16)15(13-18)17(19)20-2/h7-8,10-11,15H,1-2H3