methyl 4-[2-[(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]ethynyl]benzoate Openeye Name: methyl 4-[2-(4,4-dimethylthiochroman-8-yl)selanylethynyl]benzoate CAS Name: 4-[2-[(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)seleno]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]ethynyl]benzoate Traditional Name: 4-[2-[(4,4-dimethylthiochroman-8-yl)seleno]ethynyl]benzoic acid methyl ester Formula: C21H20O2SSe MolecularWeight: 415.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC=C2[Se]C#CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1(CCSC2=C1C=CC=C2[Se]C#CC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H20O2SSe/c1-21(2)12-13-24-19-17(21)5-4-6-18(19)25-14-11-15-7-9-16(10-8-15)20(22)23-3/h4-10H,12-13H2,1-3H3