ethyl 4-[2-(4,4-dipropyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(4,4-dipropyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(4,4-dipropylthiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4-dipropyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-dipropyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(4,4-dipropylthiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C26H30O2S MolecularWeight: 406.5802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)OCC)CCC

Isomeric SMILES

CCCC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)OCC)CCC

InChI

InChI=1S/C26H30O2S/c1-4-15-26(16-5-2)17-18-29-24-14-11-21(19-23(24)26)8-7-20-9-12-22(13-10-20)25(27)28-6-3/h9-14,19H,4-6,15-18H2,1-3H3