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

Systemtic Name: ethynyl 4-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-2-ethyl-benzoate Openeye Name: ethynyl 4-(4,4-dimethylthiochroman-7-yl)-2-ethyl-benzoate CAS Name: 4-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-7-yl)-2-ethylbenzoic acid ethynyl ester IUPAC Name: ethynyl 4-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-2-ethylbenzoate Traditional Name: 4-(4,4-dimethylthiochroman-7-yl)-2-ethyl-benzoic acid ethynyl ester Formula: C22H22O2S MolecularWeight: 350.47388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(CCS3)(C)C)C(=O)OC#C

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(CCS3)(C)C)C(=O)OC#C

InChI

InChI=1S/C22H22O2S/c1-5-15-13-16(7-9-18(15)21(23)24-6-2)17-8-10-19-20(14-17)25-12-11-22(19,3)4/h2,7-10,13-14H,5,11-12H2,1,3-4H3