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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O2S/c1-4-24(5-2)15-16-27-22-14-11-19(17-21(22)24)8-7-18-9-12-20(13-10-18)23(25)26-6-3/h9-14,17H,4-6,15-16H2,1-3H3