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

Systemtic Name: ethyl 4-[2-(2,2,4,4-tetramethyl-7-propyl-3H-thiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(2,2,4,4-tetramethyl-7-propyl-thiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(2,2,4,4-tetramethyl-7-propyl-3H-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,2,4,4-tetramethyl-7-propyl-3H-thiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(2,2,4,4-tetramethyl-7-propyl-thiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C27H32O2S MolecularWeight: 420.60678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)OCC)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)OCC)C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C27H32O2S/c1-7-9-21-17-24-23(26(3,4)18-27(5,6)30-24)16-22(21)15-12-19-10-13-20(14-11-19)25(28)29-8-2/h10-11,13-14,16-17H,7-9,18H2,1-6H3