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

Systemtic Name: ethyl 4-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C24H26O2S MolecularWeight: 378.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3(C)C)(C)C

InChI

InChI=1S/C24H26O2S/c1-6-26-22(25)19-12-9-17(10-13-19)7-8-18-11-14-21-20(15-18)23(2,3)16-24(4,5)27-21/h9-15H,6,16H2,1-5H3