ethynyl 2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)benzoate

Systemtic Name: ethynyl 2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)benzoate Openeye Name: ethynyl 2-(2,2,4,4,7-pentamethylthiochroman-6-yl)benzoate CAS Name: 2-(2,2,4,4,7-pentamethyl-3H-1-benzothiopyran-6-yl)benzoic acid ethynyl ester IUPAC Name: ethynyl 2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)benzoate Traditional Name: 2-(2,2,4,4,7-pentamethylthiochroman-6-yl)benzoic acid ethynyl ester Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C3=CC=CC=C3C(=O)OC#C)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C3=CC=CC=C3C(=O)OC#C)C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C23H24O2S/c1-7-25-21(24)17-11-9-8-10-16(17)18-13-19-20(12-15(18)2)26-23(5,6)14-22(19,3)4/h1,8-13H,14H2,2-6H3