methyl 4-[[5-(1,2-dithiolan-3-yl)-1-oxidanyl-pentyl]amino]butanoate

Systemtic Name: methyl 4-[[5-(1,2-dithiolan-3-yl)-1-oxidanyl-pentyl]amino]butanoate Openeye Name: methyl 4-[[5-(dithiolan-3-yl)-1-hydroxy-pentyl]amino]butanoate CAS Name: 4-[[5-(3-dithiolanyl)-1-hydroxypentyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[5-(dithiolan-3-yl)-1-hydroxypentyl]amino]butanoate Traditional Name: 4-[[5-(dithiolan-3-yl)-1-hydroxy-pentyl]amino]butyric acid methyl ester Formula: C13H25NO3S2 MolecularWeight: 307.4725

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(CCCCC1CCSS1)O

Isomeric SMILES

COC(=O)CCCNC(CCCCC1CCSS1)O

InChI

InChI=1S/C13H25NO3S2/c1-17-13(16)7-4-9-14-12(15)6-3-2-5-11-8-10-18-19-11/h11-12,14-15H,2-10H2,1H3