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

Systemtic Name: ethyl 2-[6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl]ethanoate Openeye Name: ethyl 2-[6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyrazin-2-yl]acetate CAS Name: 2-[6-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-pyrazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyrazin-2-yl]acetate Traditional Name: 2-[6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyrazin-2-yl]acetic acid ethyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=CN=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCOC(=O)CC1=NC(=CN=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C21H22N2O2S/c1-4-25-20(24)12-17-14-22-13-16(23-17)7-5-15-6-8-19-18(11-15)21(2,3)9-10-26-19/h6,8,11,13-14H,4,9-10,12H2,1-3H3