pyridin-2-yl 3,3-dimethyl-6-thiophen-2-yl-hex-5-ynoate

Systemtic Name: pyridin-2-yl 3,3-dimethyl-6-thiophen-2-yl-hex-5-ynoate Openeye Name: 2-pyridyl 3,3-dimethyl-6-(2-thienyl)hex-5-ynoate CAS Name: 3,3-dimethyl-6-thiophen-2-yl-5-hexynoic acid 2-pyridinyl ester IUPAC Name: pyridin-2-yl 3,3-dimethyl-6-thiophen-2-ylhex-5-ynoate Traditional Name: 3,3-dimethyl-6-(2-thienyl)hex-5-ynoic acid 2-pyridyl ester Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC#CC1=CC=CS1)CC(=O)OC2=CC=CC=N2

Isomeric SMILES

CC(C)(CC#CC1=CC=CS1)CC(=O)OC2=CC=CC=N2

InChI

InChI=1S/C17H17NO2S/c1-17(2,10-5-7-14-8-6-12-21-14)13-16(19)20-15-9-3-4-11-18-15/h3-4,6,8-9,11-12H,10,13H2,1-2H3