2,2-dimethyl-4-(2-oxidanylbutylamino)-7-pentyl-3H-thiochromen-5-one

Systemtic Name: 2,2-dimethyl-4-(2-oxidanylbutylamino)-7-pentyl-3H-thiochromen-5-one Openeye Name: 4-(2-hydroxybutylamino)-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one CAS Name: 4-(2-hydroxybutylamino)-2,2-dimethyl-7-pentyl-3H-1-benzothiopyran-5-one IUPAC Name: 4-(2-hydroxybutylamino)-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one Traditional Name: 7-amyl-4-(2-hydroxybutylamino)-2,2-dimethyl-3H-thiochromen-5-one Formula: C20H31NO2S MolecularWeight: 349.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=O)C2=C(CC(SC2=C1)(C)C)NCC(CC)O

Isomeric SMILES

CCCCCC1=CC(=O)C2=C(CC(SC2=C1)(C)C)NCC(CC)O

InChI

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