4-(2-oxidanylbutylamino)-7-pentyl-2,3-dihydrothiochromen-5-one

Systemtic Name: 4-(2-oxidanylbutylamino)-7-pentyl-2,3-dihydrothiochromen-5-one Openeye Name: 4-(2-hydroxybutylamino)-7-pentyl-2,3-dihydrothiochromen-5-one CAS Name: 4-(2-hydroxybutylamino)-7-pentyl-2,3-dihydro-1-benzothiopyran-5-one IUPAC Name: 4-(2-hydroxybutylamino)-7-pentyl-2,3-dihydrothiochromen-5-one Traditional Name: 7-amyl-4-(2-hydroxybutylamino)-2,3-dihydrothiochromen-5-one Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=O)C2=C(CCSC2=C1)NCC(CC)O

Isomeric SMILES

CCCCCC1=CC(=O)C2=C(CCSC2=C1)NCC(CC)O

InChI

InChI=1S/C18H27NO2S/c1-3-5-6-7-13-10-16(21)18-15(19-12-14(20)4-2)8-9-22-17(18)11-13/h10-11,14,19-20H,3-9,12H2,1-2H3