methyl 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate Openeye Name: methyl 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate CAS Name: 5-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-1-ynyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate Traditional Name: 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylic acid methyl ester Formula: C19H22O2S MolecularWeight: 314.44178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC#CC2=CC=C(S2)C(=O)OC

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C#CC2=CC=C(S2)C(=O)OC

InChI

InChI=1S/C19H22O2S/c1-14-8-7-13-19(2,3)16(14)10-6-5-9-15-11-12-17(22-15)18(20)21-4/h6,10-12H,7-8,13H2,1-4H3/b10-6+