ethynyl 2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)benzoate

Systemtic Name: ethynyl 2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)benzoate Openeye Name: ethynyl 2-(4,4-diethyl-7-methyl-thiochroman-6-yl)benzoate CAS Name: 2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)benzoic acid ethynyl ester IUPAC Name: ethynyl 2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)benzoate Traditional Name: 2-(4,4-diethyl-7-methyl-thiochroman-6-yl)benzoic acid ethynyl ester Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C(=C2)C)C3=CC=CC=C3C(=O)OC#C)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C(=C2)C)C3=CC=CC=C3C(=O)OC#C)CC

InChI

InChI=1S/C23H24O2S/c1-5-23(6-2)12-13-26-21-14-16(4)19(15-20(21)23)17-10-8-9-11-18(17)22(24)25-7-3/h3,8-11,14-15H,5-6,12-13H2,1-2,4H3