2-[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]-3,4-dihydro-2H-chromen-4-ol

Systemtic Name: 2-[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]-3,4-dihydro-2H-chromen-4-ol Openeye Name: 2-[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]chroman-4-ol CAS Name: 2-[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]-3,4-dihydro-2H-1-benzopyran-4-ol IUPAC Name: 2-[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]-3,4-dihydro-2H-chromen-4-ol Traditional Name: 2-[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]chroman-4-ol Formula: C22H31NO2S2 MolecularWeight: 405.61704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCCC1(SCCCS1)C2CC(C3=CC=CC=C3O2)O

Isomeric SMILES

CCN(CC)CC#CCCC1(SCCCS1)C2CC(C3=CC=CC=C3O2)O

InChI

InChI=1S/C22H31NO2S2/c1-3-23(4-2)14-9-5-8-13-22(26-15-10-16-27-22)21-17-19(24)18-11-6-7-12-20(18)25-21/h6-7,11-12,19,21,24H,3-4,8,10,13-17H2,1-2H3