ethyl 5-[(E)-4-(2-methyl-6-oxidanylidene-cyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(E)-4-(2-methyl-6-oxidanylidene-cyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate Openeye Name: ethyl 5-[(E)-4-(2-methyl-6-oxo-cyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate CAS Name: 5-[(E)-4-(2-methyl-6-oxo-1-cyclohexenyl)but-3-en-1-ynyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-4-(2-methyl-6-oxocyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylate Traditional Name: 5-[(E)-4-(6-keto-2-methyl-cyclohexen-1-yl)but-3-en-1-ynyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O3S/c1-3-21-18(20)17-12-11-14(22-17)8-4-5-9-15-13(2)7-6-10-16(15)19/h5,9,11-12H,3,6-7,10H2,1-2H3/b9-5+