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

Systemtic Name: ethyl 4-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]benzoate CAS Name: 4-[2-(4,4-diethyl-7-methyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,4-diethyl-7-methyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Traditional Name: 4-[2-(4,4-diethyl-7-methyl-thiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C25H28O2S MolecularWeight: 392.55362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)C(=O)OCC)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C(=C2)C)C#CC3=CC=C(C=C3)C(=O)OCC)CC

InChI

InChI=1S/C25H28O2S/c1-5-25(6-2)14-15-28-23-16-18(4)21(17-22(23)25)13-10-19-8-11-20(12-9-19)24(26)27-7-3/h8-9,11-12,16-17H,5-7,14-15H2,1-4H3