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

Systemtic Name: ethyl 5-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H24O2S MolecularWeight: 328.46836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)C#CC=CC2=C(CCCC2(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)C#C/C=C/C2=C(CCCC2(C)C)C

InChI

InChI=1S/C20H24O2S/c1-5-22-19(21)18-13-12-16(23-18)10-6-7-11-17-15(2)9-8-14-20(17,3)4/h7,11-13H,5,8-9,14H2,1-4H3/b11-7+