2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoate Openeye Name: 2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]pyrazin-2-yl]acetate CAS Name: 2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-2-pyrazinyl]acetate IUPAC Name: 2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]pyrazin-2-yl]acetate Traditional Name: 2-[5-[2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl]pyrazin-2-yl]acetate Formula: C23H25N2O2S- MolecularWeight: 393.5218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CN=C(C=N3)CC(=O)[O-])C(CC(S2)(C)C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CN=C(C=N3)CC(=O)[O-])C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C23H26N2O2S/c1-6-15-10-20-19(22(2,3)14-23(4,5)28-20)9-16(15)7-8-17-12-25-18(13-24-17)11-21(26)27/h9-10,12-13H,6,11,14H2,1-5H3,(H,26,27)/p-1