(4R)-2,2-dimethyl-4-(2-oxidanylpropylamino)-7-pentyl-3,4-dihydrothiochromen-5-ol

Systemtic Name: (4R)-2,2-dimethyl-4-(2-oxidanylpropylamino)-7-pentyl-3,4-dihydrothiochromen-5-ol Openeye Name: (4R)-4-(2-hydroxypropylamino)-2,2-dimethyl-7-pentyl-thiochroman-5-ol CAS Name: (4R)-4-(2-hydroxypropylamino)-2,2-dimethyl-7-pentyl-3,4-dihydro-1-benzothiopyran-5-ol IUPAC Name: (4R)-4-(2-hydroxypropylamino)-2,2-dimethyl-7-pentyl-3,4-dihydrothiochromen-5-ol Traditional Name: (4R)-7-amyl-4-(2-hydroxypropylamino)-2,2-dimethyl-thiochroman-5-ol Formula: C19H31NO2S MolecularWeight: 337.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C2C(CC(SC2=C1)(C)C)NCC(C)O)O

Isomeric SMILES

CCCCCC1=CC(=C2[C@@H](CC(SC2=C1)(C)C)NCC(C)O)O

InChI

InChI=1S/C19H31NO2S/c1-5-6-7-8-14-9-16(22)18-15(20-12-13(2)21)11-19(3,4)23-17(18)10-14/h9-10,13,15,20-22H,5-8,11-12H2,1-4H3/t13?,15-/m1/s1