6-hexyl-2,2-dimethyl-4-(2-oxidanylpropylamino)-3H-thiochromen-5-one

Systemtic Name: 6-hexyl-2,2-dimethyl-4-(2-oxidanylpropylamino)-3H-thiochromen-5-one Openeye Name: 6-hexyl-4-(2-hydroxypropylamino)-2,2-dimethyl-3H-thiochromen-5-one CAS Name: 6-hexyl-4-(2-hydroxypropylamino)-2,2-dimethyl-3H-1-benzothiopyran-5-one IUPAC Name: 6-hexyl-4-(2-hydroxypropylamino)-2,2-dimethyl-3H-thiochromen-5-one Traditional Name: 6-hexyl-4-(2-hydroxypropylamino)-2,2-dimethyl-3H-thiochromen-5-one Formula: C20H31NO2S MolecularWeight: 349.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C2C(=C(CC(S2)(C)C)NCC(C)O)C1=O

Isomeric SMILES

CCCCCCC1=CC=C2C(=C(CC(S2)(C)C)NCC(C)O)C1=O

InChI

InChI=1S/C20H31NO2S/c1-5-6-7-8-9-15-10-11-17-18(19(15)23)16(21-13-14(2)22)12-20(3,4)24-17/h10-11,14,21-22H,5-9,12-13H2,1-4H3