2-[5-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]furan-2-yl]ethanoate

Systemtic Name: 2-[5-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]furan-2-yl]ethanoate Openeye Name: 2-[5-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]-2-furyl]acetate CAS Name: 2-[5-[2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]acetate IUPAC Name: 2-[5-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]furan-2-yl]acetate Traditional Name: 2-[5-[2-(2,2,4,4-tetramethylthiochroman-6-yl)ethynyl]-2-furyl]acetate Formula: C21H21O3S- MolecularWeight: 353.45464

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=C(C=C2)C#CC3=CC=C(O3)CC(=O)[O-])(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=C(C=C2)C#CC3=CC=C(O3)CC(=O)[O-])(C)C)C

InChI

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