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

Systemtic Name: 2-(2,2,4,4-tetramethyl-7-propyl-3H-thiochromen-6-yl)ethynyl benzoate Openeye Name: 2-(2,2,4,4-tetramethyl-7-propyl-thiochroman-6-yl)ethynyl benzoate CAS Name: benzoic acid 2-(2,2,4,4-tetramethyl-7-propyl-3H-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(2,2,4,4-tetramethyl-7-propyl-3H-thiochromen-6-yl)ethynyl benzoate Traditional Name: benzoic acid 2-(2,2,4,4-tetramethyl-7-propyl-thiochroman-6-yl)ethynyl ester Formula: C25H28O2S MolecularWeight: 392.55362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O2S/c1-6-10-19-16-22-21(24(2,3)17-25(4,5)28-22)15-20(19)13-14-27-23(26)18-11-8-7-9-12-18/h7-9,11-12,15-16H,6,10,17H2,1-5H3