[5-[2-(2,2,7-triethyl-3,4-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl] butanoate

Systemtic Name: [5-[2-(2,2,7-triethyl-3,4-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl] butanoate Openeye Name: [5-[2-(2,2,7-triethylthiochroman-6-yl)ethynyl]pyrazin-2-yl] butanoate CAS Name: butanoic acid [5-[2-(2,2,7-triethyl-3,4-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrazinyl] ester IUPAC Name: [5-[2-(2,2,7-triethyl-3,4-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl] butanoate Traditional Name: butyric acid [5-[2-(2,2,7-triethylthiochroman-6-yl)ethynyl]pyrazin-2-yl] ester Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NC=C(N=C1)C#CC2=CC3=C(C=C2CC)SC(CC3)(CC)CC

Isomeric SMILES

CCCC(=O)OC1=NC=C(N=C1)C#CC2=CC3=C(C=C2CC)SC(CC3)(CC)CC

InChI

InChI=1S/C25H30N2O2S/c1-5-9-24(28)29-23-17-26-21(16-27-23)11-10-19-14-20-12-13-25(7-3,8-4)30-22(20)15-18(19)6-2/h14-17H,5-9,12-13H2,1-4H3