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

Systemtic Name: 4-(2-hydroxyethylamino)-2,2-dimethyl-7-(3-methyloctan-2-yl)-3H-thiochromen-5-one Openeye Name: 7-(1,2-dimethylheptyl)-4-(2-hydroxyethylamino)-2,2-dimethyl-3H-thiochromen-5-one CAS Name: 4-(2-hydroxyethylamino)-2,2-dimethyl-7-(3-methyloctan-2-yl)-3H-1-benzothiopyran-5-one IUPAC Name: 4-(2-hydroxyethylamino)-2,2-dimethyl-7-(3-methyloctan-2-yl)-3H-thiochromen-5-one Traditional Name: 7-(1,2-dimethylheptyl)-4-(2-hydroxyethylamino)-2,2-dimethyl-3H-thiochromen-5-one Formula: C22H35NO2S MolecularWeight: 377.5838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)C1=CC(=O)C2=C(CC(SC2=C1)(C)C)NCCO

Isomeric SMILES

CCCCCC(C)C(C)C1=CC(=O)C2=C(CC(SC2=C1)(C)C)NCCO

InChI

InChI=1S/C22H35NO2S/c1-6-7-8-9-15(2)16(3)17-12-19(25)21-18(23-10-11-24)14-22(4,5)26-20(21)13-17/h12-13,15-16,23-24H,6-11,14H2,1-5H3