tridecyl 3-[1-oxidanylidene-1-(1,3,5-triazin-2-yl)propan-2-yl]sulfanylpropanoate

Systemtic Name: tridecyl 3-[1-oxidanylidene-1-(1,3,5-triazin-2-yl)propan-2-yl]sulfanylpropanoate Openeye Name: tridecyl 3-[1-methyl-2-oxo-2-(1,3,5-triazin-2-yl)ethyl]sulfanylpropanoate CAS Name: 3-[[1-oxo-1-(1,3,5-triazin-2-yl)propan-2-yl]thio]propanoic acid tridecyl ester IUPAC Name: tridecyl 3-[1-oxo-1-(1,3,5-triazin-2-yl)propan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-keto-1-methyl-2-(s-triazin-2-yl)ethyl]thio]propionic acid tridecyl ester Formula: C22H37N3O3S MolecularWeight: 423.61248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CCSC(C)C(=O)C1=NC=NC=N1

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CCSC(C)C(=O)C1=NC=NC=N1

InChI

InChI=1S/C22H37N3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-15-28-20(26)14-16-29-19(2)21(27)22-24-17-23-18-25-22/h17-19H,3-16H2,1-2H3