ethyl 2-[4-[2-(4,4-dimethyl-7-propyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[2-(4,4-dimethyl-7-propyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[2-(4,4-dimethyl-7-propyl-thiochroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(4,4-dimethyl-7-propyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(4,4-dimethyl-7-propyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(4,4-dimethyl-7-propyl-thiochroman-6-yl)ethynyl]phenyl]acetic acid ethyl ester Formula: C26H30O2S MolecularWeight: 406.5802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CC(=O)OCC)C(CCS2)(C)C

Isomeric SMILES

CCCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CC(=O)OCC)C(CCS2)(C)C

InChI

InChI=1S/C26H30O2S/c1-5-7-21-18-24-23(26(3,4)14-15-29-24)17-22(21)13-12-19-8-10-20(11-9-19)16-25(27)28-6-2/h8-11,17-18H,5-7,14-16H2,1-4H3