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

Systemtic Name: 4-(2-oxidanylpropylamino)-7-pentyl-2,3-dihydrothiochromen-5-one Openeye Name: 4-(2-hydroxypropylamino)-7-pentyl-2,3-dihydrothiochromen-5-one CAS Name: 4-(2-hydroxypropylamino)-7-pentyl-2,3-dihydro-1-benzothiopyran-5-one IUPAC Name: 4-(2-hydroxypropylamino)-7-pentyl-2,3-dihydrothiochromen-5-one Traditional Name: 7-amyl-4-(2-hydroxypropylamino)-2,3-dihydrothiochromen-5-one Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2S/c1-3-4-5-6-13-9-15(20)17-14(18-11-12(2)19)7-8-21-16(17)10-13/h9-10,12,18-19H,3-8,11H2,1-2H3