2,2-dimethyl-7-pentyl-4-(2-sulfanylpropylamino)-3H-chromen-5-one

Systemtic Name: 2,2-dimethyl-7-pentyl-4-(2-sulfanylpropylamino)-3H-chromen-5-one Openeye Name: 2,2-dimethyl-7-pentyl-4-(2-sulfanylpropylamino)-3H-chromen-5-one CAS Name: 4-(2-mercaptopropylamino)-2,2-dimethyl-7-pentyl-3H-1-benzopyran-5-one IUPAC Name: 2,2-dimethyl-7-pentyl-4-(2-sulfanylpropylamino)-3H-chromen-5-one Traditional Name: 7-amyl-4-(2-mercaptopropylamino)-2,2-dimethyl-3H-chromen-5-one Formula: C19H29NO2S MolecularWeight: 335.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=O)C2=C(CC(OC2=C1)(C)C)NCC(C)S

Isomeric SMILES

CCCCCC1=CC(=O)C2=C(CC(OC2=C1)(C)C)NCC(C)S

InChI

InChI=1S/C19H29NO2S/c1-5-6-7-8-14-9-16(21)18-15(20-12-13(2)23)11-19(3,4)22-17(18)10-14/h9-10,13,20,23H,5-8,11-12H2,1-4H3