2,2-dimethyl-7-(2-methyloctan-2-yl)-4-(2-oxidanylpropylamino)-3H-thiochromen-5-one

Systemtic Name: 2,2-dimethyl-7-(2-methyloctan-2-yl)-4-(2-oxidanylpropylamino)-3H-thiochromen-5-one Openeye Name: 7-(1,1-dimethylheptyl)-4-(2-hydroxypropylamino)-2,2-dimethyl-3H-thiochromen-5-one CAS Name: 4-(2-hydroxypropylamino)-2,2-dimethyl-7-(2-methyloctan-2-yl)-3H-1-benzothiopyran-5-one IUPAC Name: 4-(2-hydroxypropylamino)-2,2-dimethyl-7-(2-methyloctan-2-yl)-3H-thiochromen-5-one Traditional Name: 7-(1,1-dimethylheptyl)-4-(2-hydroxypropylamino)-2,2-dimethyl-3H-thiochromen-5-one Formula: C23H37NO2S MolecularWeight: 391.61038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=O)C2=C(CC(SC2=C1)(C)C)NCC(C)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=O)C2=C(CC(SC2=C1)(C)C)NCC(C)O

InChI

InChI=1S/C23H37NO2S/c1-7-8-9-10-11-22(3,4)17-12-19(26)21-18(24-15-16(2)25)14-23(5,6)27-20(21)13-17/h12-13,16,24-25H,7-11,14-15H2,1-6H3