ethyl 5-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl]pentanoate

Systemtic Name: ethyl 5-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl]pentanoate Openeye Name: ethyl 5-[5-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]pyrimidin-2-yl]pentanoate CAS Name: 5-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrimidinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[2-(4,4-diethyl-7-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrimidin-2-yl]pentanoate Traditional Name: 5-[5-[2-(4,4-diethyl-7-hexyl-thiochroman-6-yl)ethynyl]pyrimidin-2-yl]valeric acid ethyl ester Formula: C32H44N2O2S MolecularWeight: 520.76896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C#CC3=CN=C(N=C3)CCCCC(=O)OCC)C(CCS2)(CC)CC

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C#CC3=CN=C(N=C3)CCCCC(=O)OCC)C(CCS2)(CC)CC

InChI

InChI=1S/C32H44N2O2S/c1-5-9-10-11-14-26-22-29-28(32(6-2,7-3)19-20-37-29)21-27(26)18-17-25-23-33-30(34-24-25)15-12-13-16-31(35)36-8-4/h21-24H,5-16,19-20H2,1-4H3