2-[5-[2-(2,2,7-triethyl-3,4-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(2,2,7-triethyl-3,4-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoate Openeye Name: 2-[5-[2-(2,2,7-triethylthiochroman-6-yl)ethynyl]pyrazin-2-yl]acetate CAS Name: 2-[5-[2-(2,2,7-triethyl-3,4-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrazinyl]acetate IUPAC Name: 2-[5-[2-(2,2,7-triethyl-3,4-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl]acetate Traditional Name: 2-[5-[2-(2,2,7-triethylthiochroman-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(CCC(S2)(CC)CC)C=C1C#CC3=CN=C(C=N3)CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2S/c1-4-16-12-21-18(9-10-23(5-2,6-3)28-21)11-17(16)7-8-19-14-25-20(15-24-19)13-22(26)27/h11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,26,27)/p-1