ethyl 4-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4,7-triethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4,7-triethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(4,4,7-triethylthiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C26H30O2S MolecularWeight: 406.5802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)OCC)C(CCS2)(CC)CC

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)OCC)C(CCS2)(CC)CC

InChI

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