methyl 3-(5-phenylpent-1-ynyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-(5-phenylpent-1-ynyl)thiophene-2-carboxylate Openeye Name: methyl 3-(5-phenylpent-1-ynyl)thiophene-2-carboxylate CAS Name: 3-(5-phenylpent-1-ynyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(5-phenylpent-1-ynyl)thiophene-2-carboxylate Traditional Name: 3-(5-phenylpent-1-ynyl)thiophene-2-carboxylic acid methyl ester Formula: C17H16O2S MolecularWeight: 284.37274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)C#CCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=CS1)C#CCCCC2=CC=CC=C2

InChI

InChI=1S/C17H16O2S/c1-19-17(18)16-15(12-13-20-16)11-7-3-6-10-14-8-4-2-5-9-14/h2,4-5,8-9,12-13H,3,6,10H2,1H3