2-[5-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]ethanoate Openeye Name: 2-[5-[2-(4,4-diethylthiochroman-6-yl)ethynyl]-2-furyl]acetate CAS Name: 2-[5-[2-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]acetate IUPAC Name: 2-[5-[2-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]acetate Traditional Name: 2-[5-[2-(4,4-diethylthiochroman-6-yl)ethynyl]-2-furyl]acetate Formula: C21H21O3S- MolecularWeight: 353.45464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(O3)CC(=O)[O-])CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(O3)CC(=O)[O-])CC

InChI

InChI=1S/C21H22O3S/c1-3-21(4-2)11-12-25-19-10-6-15(13-18(19)21)5-7-16-8-9-17(24-16)14-20(22)23/h6,8-10,13H,3-4,11-12,14H2,1-2H3,(H,22,23)/p-1