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

Systemtic Name: methyl 4-[5-(1,2-dithiolan-3-yl)pentylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[5-(dithiolan-3-yl)pentylamino]-4-oxo-butanoate CAS Name: 4-[5-(3-dithiolanyl)pentylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[5-(dithiolan-3-yl)pentylamino]-4-oxobutanoate Traditional Name: 4-[5-(dithiolan-3-yl)pentylamino]-4-keto-butyric acid methyl ester Formula: C13H23NO3S2 MolecularWeight: 305.45662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NCCCCCC1CCSS1

Isomeric SMILES

COC(=O)CCC(=O)NCCCCCC1CCSS1

InChI

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