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

Systemtic Name: ethyl 5-[5-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl]pentanoate Openeye Name: ethyl 5-[5-[2-(4,4-diethylthiochroman-6-yl)ethynyl]pyrazin-2-yl]pentanoate CAS Name: 5-[5-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrazinyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl]pentanoate Traditional Name: 5-[5-[2-(4,4-diethylthiochroman-6-yl)ethynyl]pyrazin-2-yl]valeric acid ethyl ester Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C=C2)C#CC3=CN=C(C=N3)CCCCC(=O)OCC)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C=C2)C#CC3=CN=C(C=N3)CCCCC(=O)OCC)CC

InChI

InChI=1S/C26H32N2O2S/c1-4-26(5-2)15-16-31-24-14-12-20(17-23(24)26)11-13-22-19-27-21(18-28-22)9-7-8-10-25(29)30-6-3/h12,14,17-19H,4-10,15-16H2,1-3H3