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

Systemtic Name: ethyl 5-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]pentanoate Openeye Name: ethyl 5-[5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-furyl]pentanoate CAS Name: 5-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]pentanoate Traditional Name: 5-[5-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]-2-furyl]valeric acid ethyl ester Formula: C26H32O3S MolecularWeight: 424.59548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CC=C(O3)CCCCC(=O)OCC)C(CCS2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CC=C(O3)CCCCC(=O)OCC)C(CCS2)(C)C

InChI

InChI=1S/C26H32O3S/c1-5-19-18-24-23(26(3,4)15-16-30-24)17-20(19)11-12-22-14-13-21(29-22)9-7-8-10-25(27)28-6-2/h13-14,17-18H,5-10,15-16H2,1-4H3