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

Systemtic Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]ethanoate Openeye Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-furyl]acetate CAS Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]acetate IUPAC Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]acetate Traditional Name: 2-[5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-furyl]acetate Formula: C21H21O3S- MolecularWeight: 353.45464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CC=C(O3)CC(=O)[O-])C(CCS2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CC=C(O3)CC(=O)[O-])C(CCS2)(C)C

InChI

InChI=1S/C21H22O3S/c1-4-14-12-19-18(21(2,3)9-10-25-19)11-15(14)5-6-16-7-8-17(24-16)13-20(22)23/h7-8,11-12H,4,9-10,13H2,1-3H3,(H,22,23)/p-1