2-hexadecylsulfanyl-6-methyl-3,1-benzoxazin-4-one

Systemtic Name: 2-hexadecylsulfanyl-6-methyl-3,1-benzoxazin-4-one Openeye Name: 2-hexadecylsulfanyl-6-methyl-3,1-benzoxazin-4-one CAS Name: 2-(hexadecylthio)-6-methyl-3,1-benzoxazin-4-one IUPAC Name: 2-hexadecylsulfanyl-6-methyl-3,1-benzoxazin-4-one Traditional Name: 2-(cetylthio)-6-methyl-3,1-benzoxazin-4-one Formula: C25H39NO2S MolecularWeight: 417.64766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC2=C(C=C(C=C2)C)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC2=C(C=C(C=C2)C)C(=O)O1

InChI

InChI=1S/C25H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-25-26-23-18-17-21(2)20-22(23)24(27)28-25/h17-18,20H,3-16,19H2,1-2H3