ethynyl 2-(4,4-diethyl-7-propyl-2,3-dihydrothiochromen-6-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C3=CC=CC=C3C(=O)OC#C)C(CCS2)(CC)CC

Isomeric SMILES

CCCC1=CC2=C(C=C1C3=CC=CC=C3C(=O)OC#C)C(CCS2)(CC)CC

InChI

InChI=1S/C25H28O2S/c1-5-11-18-16-23-22(25(6-2,7-3)14-15-28-23)17-21(18)19-12-9-10-13-20(19)24(26)27-8-4/h4,9-10,12-13,16-17H,5-7,11,14-15H2,1-3H3