ethyl 6-(5-methylthiophen-2-yl)-4-oxidanylidene-hept-2-ynoate

Systemtic Name: ethyl 6-(5-methylthiophen-2-yl)-4-oxidanylidene-hept-2-ynoate Openeye Name: ethyl 6-(5-methyl-2-thienyl)-4-oxo-hept-2-ynoate CAS Name: 6-(5-methyl-2-thiophenyl)-4-oxo-2-heptynoic acid ethyl ester IUPAC Name: ethyl 6-(5-methylthiophen-2-yl)-4-oxohept-2-ynoate Traditional Name: 4-keto-6-(5-methyl-2-thienyl)hept-2-ynoic acid ethyl ester Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3S/c1-4-17-14(16)8-6-12(15)9-10(2)13-7-5-11(3)18-13/h5,7,10H,4,9H2,1-3H3