2,2-dimethyl-4-[[(2S)-2-oxidanylpropyl]amino]-7-pentyl-3H-thiochromen-5-one

Systemtic Name: 2,2-dimethyl-4-[[(2S)-2-oxidanylpropyl]amino]-7-pentyl-3H-thiochromen-5-one Openeye Name: 4-[[(2S)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one CAS Name: 4-[[(2S)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-1-benzothiopyran-5-one IUPAC Name: 4-[[(2S)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one Traditional Name: 7-amyl-4-[[(2S)-2-hydroxypropyl]amino]-2,2-dimethyl-3H-thiochromen-5-one Formula: C19H29NO2S MolecularWeight: 335.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC1=CC(=O)C2=C(CC(SC2=C1)(C)C)NC[C@H](C)O

InChI

InChI=1S/C19H29NO2S/c1-5-6-7-8-14-9-16(22)18-15(20-12-13(2)21)11-19(3,4)23-17(18)10-14/h9-10,13,20-21H,5-8,11-12H2,1-4H3/t13-/m0/s1