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

Systemtic Name: ethyl 4-[2-(4,4-diethyl-7-propyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(4,4-diethyl-7-propyl-thiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4-diethyl-7-propyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-diethyl-7-propyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(4,4-diethyl-7-propyl-thiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C27H32O2S MolecularWeight: 420.60678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O2S/c1-5-9-22-19-25-24(27(6-2,7-3)16-17-30-25)18-23(22)15-12-20-10-13-21(14-11-20)26(28)29-8-4/h10-11,13-14,18-19H,5-9,16-17H2,1-4H3