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

Systemtic Name: ethyl 2-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 2-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]benzoate CAS Name: 2-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Traditional Name: 2-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C22H22O2S MolecularWeight: 350.47388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C#CC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C#CC2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C22H22O2S/c1-4-24-21(23)18-8-6-5-7-17(18)11-9-16-10-12-20-19(15-16)22(2,3)13-14-25-20/h5-8,10,12,15H,4,13-14H2,1-3H3