ethyl 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(4,4-dimethylthiochroman-7-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-7-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)ethynyl]benzoate Traditional Name: 4-[2-(4,4-dimethylthiochroman-7-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=C(C=C1)C#CC2=CC3=C(C=C2)C(CCS3)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CCS3)(C)C

InChI

InChI=1S/C22H22O2S/c1-4-24-21(23)18-10-7-16(8-11-18)5-6-17-9-12-19-20(15-17)25-14-13-22(19,2)3/h7-12,15H,4,13-14H2,1-3H3