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

Systemtic Name: 2-[5-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoate Openeye Name: 2-[5-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]pyrimidin-2-yl]acetate CAS Name: 2-[5-[2-(4,4,7-triethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrimidinyl]acetate IUPAC Name: 2-[5-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl]acetate Traditional Name: 2-[5-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]pyrimidin-2-yl]acetate Formula: C23H25N2O2S- MolecularWeight: 393.5218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CN=C(N=C3)CC(=O)[O-])C(CCS2)(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CN=C(N=C3)CC(=O)[O-])C(CCS2)(CC)CC

InChI

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