methyl 3-hept-1-ynylthiophene-2-carboxylate

Systemtic Name: methyl 3-hept-1-ynylthiophene-2-carboxylate Openeye Name: methyl 3-hept-1-ynylthiophene-2-carboxylate CAS Name: 3-hept-1-ynyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-hept-1-ynylthiophene-2-carboxylate Traditional Name: 3-hept-1-ynylthiophene-2-carboxylic acid methyl ester Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=C(SC=C1)C(=O)OC

Isomeric SMILES

CCCCCC#CC1=C(SC=C1)C(=O)OC

InChI

InChI=1S/C13H16O2S/c1-3-4-5-6-7-8-11-9-10-16-12(11)13(14)15-2/h9-10H,3-6H2,1-2H3