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

Systemtic Name: 2-[5-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]ethanoate Openeye Name: 2-[5-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]-2-furyl]acetate CAS Name: 2-[5-[2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]acetate IUPAC Name: 2-[5-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]acetate Traditional Name: 2-[5-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]-2-furyl]acetate Formula: C20H19O3S- MolecularWeight: 339.42806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#CC3=CC=C(O3)CC(=O)[O-])C(CCS2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#CC3=CC=C(O3)CC(=O)[O-])C(CCS2)(C)C

InChI

InChI=1S/C20H20O3S/c1-13-10-18-17(20(2,3)8-9-24-18)11-14(13)4-5-15-6-7-16(23-15)12-19(21)22/h6-7,10-11H,8-9,12H2,1-3H3,(H,21,22)/p-1