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

Systemtic Name: 2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl benzoate Openeye Name: 2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl benzoate CAS Name: benzoic acid 2-(7-ethyl-2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(7-ethyl-2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl benzoate Traditional Name: benzoic acid 2-(7-ethyl-2,2,4,4-tetramethyl-thiochroman-6-yl)ethynyl ester Formula: C24H26O2S MolecularWeight: 378.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#COC(=O)C3=CC=CC=C3)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#COC(=O)C3=CC=CC=C3)C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C24H26O2S/c1-6-17-15-21-20(23(2,3)16-24(4,5)27-21)14-19(17)12-13-26-22(25)18-10-8-7-9-11-18/h7-11,14-15H,6,16H2,1-5H3