6-heptyl-5-methyl-2-octoxy-thieno[2,3-d][1,3]oxazin-4-one

Systemtic Name: 6-heptyl-5-methyl-2-octoxy-thieno[2,3-d][1,3]oxazin-4-one Openeye Name: 6-heptyl-5-methyl-2-octoxy-thieno[2,3-d][1,3]oxazin-4-one CAS Name: 6-heptyl-5-methyl-2-octoxy-4-thieno[2,3-d][1,3]oxazinone IUPAC Name: 6-heptyl-5-methyl-2-octoxythieno[2,3-d][1,3]oxazin-4-one Traditional Name: 6-heptyl-5-methyl-2-octoxy-thieno[2,3-d][1,3]oxazin-4-one Formula: C22H35NO3S MolecularWeight: 393.5832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC2=C(C(=C(S2)CCCCCCC)C)C(=O)O1

Isomeric SMILES

CCCCCCCCOC1=NC2=C(C(=C(S2)CCCCCCC)C)C(=O)O1

InChI

InChI=1S/C22H35NO3S/c1-4-6-8-10-12-14-16-25-22-23-20-19(21(24)26-22)17(3)18(27-20)15-13-11-9-7-5-2/h4-16H2,1-3H3