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

Systemtic Name: [5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl] butanoate Openeye Name: [5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-2-furyl] butanoate CAS Name: butanoic acid [5-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl] ester IUPAC Name: [5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl] butanoate Traditional Name: butyric acid [5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-2-furyl] ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(O1)C#CC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCCC(=O)OC1=CC=C(O1)C#CC2=CC3=C(C=C2)SCCC3(C)C

InChI

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