methyl (2E)-2-(thiophen-2-ylmethylidene)oct-3-ynoate

Systemtic Name: methyl (2E)-2-(thiophen-2-ylmethylidene)oct-3-ynoate Openeye Name: methyl (2E)-2-(2-thienylmethylene)oct-3-ynoate CAS Name: (2E)-2-(thiophen-2-ylmethylidene)-3-octynoic acid methyl ester IUPAC Name: methyl (2E)-2-(thiophen-2-ylmethylidene)oct-3-ynoate Traditional Name: (2E)-2-(2-thenylidene)oct-3-ynoic acid methyl ester Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=CC1=CC=CS1)C(=O)OC

Isomeric SMILES

CCCCC#C/C(=C\C1=CC=CS1)/C(=O)OC

InChI

InChI=1S/C14H16O2S/c1-3-4-5-6-8-12(14(15)16-2)11-13-9-7-10-17-13/h7,9-11H,3-5H2,1-2H3/b12-11+