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

Systemtic Name: ethyl 2-[3-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: ethyl 2-[3-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[3-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[3-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]acetic acid ethyl ester Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=CC(=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCOC(=O)CC1=CC=CC(=C1)C#CC2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C23H24O2S/c1-4-25-22(24)16-19-7-5-6-17(14-19)8-9-18-10-11-21-20(15-18)23(2,3)12-13-26-21/h5-7,10-11,14-15H,4,12-13,16H2,1-3H3