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

Systemtic Name: ethyl 4-[2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(2,2,4,4,7-pentamethylthiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(2,2,4,4,7-pentamethyl-3H-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(2,2,4,4,7-pentamethylthiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C25H28O2S MolecularWeight: 392.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2C)SC(CC3(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2C)SC(CC3(C)C)(C)C

InChI

InChI=1S/C25H28O2S/c1-7-27-23(26)19-11-8-18(9-12-19)10-13-20-15-21-22(14-17(20)2)28-25(5,6)16-24(21,3)4/h8-9,11-12,14-15H,7,16H2,1-6H3