2-[5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoate Openeye Name: 2-[5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyrazin-2-yl]acetate CAS Name: 2-[5-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrazinyl]acetate IUPAC Name: 2-[5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl]acetate Traditional Name: 2-[5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyrazin-2-yl]acetate Formula: C19H17N2O2S- MolecularWeight: 337.41548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#CC3=CN=C(C=N3)CC(=O)[O-])C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#CC3=CN=C(C=N3)CC(=O)[O-])C

InChI

InChI=1S/C19H18N2O2S/c1-19(2)7-8-24-17-6-4-13(9-16(17)19)3-5-14-11-21-15(12-20-14)10-18(22)23/h4,6,9,11-12H,7-8,10H2,1-2H3,(H,22,23)/p-1