ethynyl 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)benzoate

Systemtic Name: ethynyl 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)benzoate Openeye Name: ethynyl 2-(4,4-dimethylthiochroman-6-yl)benzoate CAS Name: 2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)benzoic acid ethynyl ester IUPAC Name: ethynyl 2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)benzoate Traditional Name: 2-(4,4-dimethylthiochroman-6-yl)benzoic acid ethynyl ester Formula: C20H18O2S MolecularWeight: 322.42072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C3=CC=CC=C3C(=O)OC#C)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C3=CC=CC=C3C(=O)OC#C)C

InChI

InChI=1S/C20H18O2S/c1-4-22-19(21)16-8-6-5-7-15(16)14-9-10-18-17(13-14)20(2,3)11-12-23-18/h1,5-10,13H,11-12H2,2-3H3