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

Systemtic Name: ethyl 2-[4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]pentanoate Openeye Name: ethyl 2-[4-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]phenyl]pentanoate CAS Name: 2-[4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]pentanoate Traditional Name: 2-[4-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]phenyl]valeric acid ethyl ester Formula: C28H34O2S MolecularWeight: 434.63336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C#CC2=CC3=C(C=C2CC)SCCC3(C)C)C(=O)OCC

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C#CC2=CC3=C(C=C2CC)SCCC3(C)C)C(=O)OCC

InChI

InChI=1S/C28H34O2S/c1-6-9-24(27(29)30-8-3)22-13-10-20(11-14-22)12-15-23-18-25-26(19-21(23)7-2)31-17-16-28(25,4)5/h10-11,13-14,18-19,24H,6-9,16-17H2,1-5H3