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

Systemtic Name: 2-[5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]ethanoate Openeye Name: 2-[5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-2-furyl]acetate CAS Name: 2-[5-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]acetate IUPAC Name: 2-[5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]acetate Traditional Name: 2-[5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-2-furyl]acetate Formula: C19H17O3S- MolecularWeight: 325.40148

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(O3)CC(=O)[O-])C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(O3)CC(=O)[O-])C

InChI

InChI=1S/C19H18O3S/c1-19(2)9-10-23-17-8-4-13(11-16(17)19)3-5-14-6-7-15(22-14)12-18(20)21/h4,6-8,11H,9-10,12H2,1-2H3,(H,20,21)/p-1