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

Systemtic Name: 2-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl]ethanoate Openeye Name: 2-[5-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]pyrimidin-2-yl]acetate CAS Name: 2-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrimidinyl]acetate IUPAC Name: 2-[5-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl]acetate Traditional Name: 2-[5-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]pyrimidin-2-yl]acetate Formula: C22H23N2O2S- MolecularWeight: 379.49522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CN=C(N=C3)CC(=O)[O-])CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CN=C(N=C3)CC(=O)[O-])CC

InChI

InChI=1S/C22H24N2O2S/c1-4-22(5-2)8-9-27-19-10-15(3)17(11-18(19)22)7-6-16-13-23-20(24-14-16)12-21(25)26/h10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,25,26)/p-1