ethynyl 2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)benzoate

Systemtic Name: ethynyl 2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)benzoate Openeye Name: ethynyl 2-(2,2,4,4-tetramethylthiochroman-6-yl)benzoate CAS Name: 2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)benzoic acid ethynyl ester IUPAC Name: ethynyl 2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)benzoate Traditional Name: 2-(2,2,4,4-tetramethylthiochroman-6-yl)benzoic acid ethynyl ester Formula: C22H22O2S MolecularWeight: 350.47388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=C(C=C2)C3=CC=CC=C3C(=O)OC#C)(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=C(C=C2)C3=CC=CC=C3C(=O)OC#C)(C)C)C

InChI

InChI=1S/C22H22O2S/c1-6-24-20(23)17-10-8-7-9-16(17)15-11-12-19-18(13-15)21(2,3)14-22(4,5)25-19/h1,7-13H,14H2,2-5H3