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

Systemtic Name: ethyl 2-[2-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]ethanoate Openeye Name: ethyl 2-[2-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]phenyl]acetate CAS Name: 2-[2-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]phenyl]acetate Traditional Name: 2-[2-[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=C1C#CC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCOC(=O)CC1=CC=CC=C1C#CC2=CC3=C(C=C2)SCCC3(C)C

InChI

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