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

Systemtic Name: [5-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl] butanoate Openeye Name: [5-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]pyrazin-2-yl] butanoate CAS Name: butanoic acid [5-[2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrazinyl] ester IUPAC Name: [5-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl] butanoate Traditional Name: butyric acid [5-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]pyrazin-2-yl] ester Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=NC=C(N=C1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

Isomeric SMILES

CCCC(=O)OC1=NC=C(N=C1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

InChI

InChI=1S/C22H24N2O2S/c1-5-6-21(25)26-20-14-23-17(13-24-20)8-7-16-12-18-19(11-15(16)2)27-10-9-22(18,3)4/h11-14H,5-6,9-10H2,1-4H3