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

Systemtic Name: ethyl 4-[2-(2,4,4-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(2,4,4-trimethylthiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(2,4,4-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,4,4-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(2,4,4-trimethylthiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24O2S/c1-5-25-22(24)19-11-8-17(9-12-19)6-7-18-10-13-21-20(14-18)23(3,4)15-16(2)26-21/h8-14,16H,5,15H2,1-4H3