methyl 4-[5-(1,2-dithiolan-3-yl)pentanoylamino]butanoate

Systemtic Name: methyl 4-[5-(1,2-dithiolan-3-yl)pentanoylamino]butanoate Openeye Name: methyl 4-[5-(dithiolan-3-yl)pentanoylamino]butanoate CAS Name: 4-[[5-(3-dithiolanyl)-1-oxopentyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[5-(dithiolan-3-yl)pentanoylamino]butanoate Traditional Name: 4-[5-(dithiolan-3-yl)pentanoylamino]butyric acid methyl ester Formula: C13H23NO3S2 MolecularWeight: 305.45662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CCCCC1CCSS1

Isomeric SMILES

COC(=O)CCCNC(=O)CCCCC1CCSS1

InChI

InChI=1S/C13H23NO3S2/c1-17-13(16)7-4-9-14-12(15)6-3-2-5-11-8-10-18-19-11/h11H,2-10H2,1H3,(H,14,15)