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

Systemtic Name: ethyl 2-[4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[4-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]phenyl]acetic acid ethyl ester Formula: C25H28O2S MolecularWeight: 392.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CC(=O)OCC)C(CCS2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)CC(=O)OCC)C(CCS2)(C)C

InChI

InChI=1S/C25H28O2S/c1-5-20-17-23-22(25(3,4)13-14-28-23)16-21(20)12-11-18-7-9-19(10-8-18)15-24(26)27-6-2/h7-10,16-17H,5-6,13-15H2,1-4H3