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

Systemtic Name: [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl] thiophene-2-carboxylate Openeye Name: [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-1-ynyl] ester IUPAC Name: [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl] ester Formula: C18H20O2S MolecularWeight: 300.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC#COC(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C#COC(=O)C2=CC=CS2

InChI

InChI=1S/C18H20O2S/c1-14-8-6-11-18(2,3)15(14)9-4-5-12-20-17(19)16-10-7-13-21-16/h4,7,9-10,13H,6,8,11H2,1-3H3/b9-4+