1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl 2-aminocarbonylsulfanylethanoate

Systemtic Name: 1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl 2-aminocarbonylsulfanylethanoate Openeye Name: 1-[(4-hexyl-3-oxo-oxetan-2-yl)methyl]dodecyl 2-carbamoylsulfanylacetate CAS Name: 2-(carbamoylthio)acetic acid 1-(4-hexyl-3-oxo-2-oxetanyl)tridecan-2-yl ester IUPAC Name: 1-(4-hexyl-3-oxooxetan-2-yl)tridecan-2-yl 2-carbamoylsulfanylacetate Traditional Name: 2-(carbamoylthio)acetic acid 1-[(4-hexyl-3-keto-oxetan-2-yl)methyl]dodecyl ester Formula: C25H45NO5S MolecularWeight: 471.6935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)CSC(=O)N

Isomeric SMILES

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)CSC(=O)N

InChI

InChI=1S/C25H45NO5S/c1-3-5-7-9-10-11-12-13-14-16-20(30-23(27)19-32-25(26)29)18-22-24(28)21(31-22)17-15-8-6-4-2/h20-22H,3-19H2,1-2H3,(H2,26,29)