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

Systemtic Name: ethyl 5-[5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]pentanoate Openeye Name: ethyl 5-[5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-2-furyl]pentanoate CAS Name: 5-[5-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]pentanoate Traditional Name: 5-[5-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-2-furyl]valeric acid ethyl ester Formula: C24H28O3S MolecularWeight: 396.54232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC1=CC=C(O1)C#CC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCOC(=O)CCCCC1=CC=C(O1)C#CC2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C24H28O3S/c1-4-26-23(25)8-6-5-7-19-12-13-20(27-19)11-9-18-10-14-22-21(17-18)24(2,3)15-16-28-22/h10,12-14,17H,4-8,15-16H2,1-3H3