ethyl 4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(7-ethyl-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(7-ethyl-4,4-dimethyl-thiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C24H26O2S MolecularWeight: 378.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)OCC)C(CCS2)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)OCC)C(CCS2)(C)C

InChI

InChI=1S/C24H26O2S/c1-5-18-16-22-21(24(3,4)13-14-27-22)15-20(18)12-9-17-7-10-19(11-8-17)23(25)26-6-2/h7-8,10-11,15-16H,5-6,13-14H2,1-4H3