methyl 3-[4-(1,2-dithiolan-3-yl)butylcarbamoylamino]propanoate

Systemtic Name: methyl 3-[4-(1,2-dithiolan-3-yl)butylcarbamoylamino]propanoate Openeye Name: methyl 3-[4-(dithiolan-3-yl)butylcarbamoylamino]propanoate CAS Name: 3-[[[4-(3-dithiolanyl)butylamino]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(dithiolan-3-yl)butylcarbamoylamino]propanoate Traditional Name: 3-[4-(dithiolan-3-yl)butylcarbamoylamino]propionic acid methyl ester Formula: C12H22N2O3S2 MolecularWeight: 306.44468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)NCCCCC1CCSS1

Isomeric SMILES

COC(=O)CCNC(=O)NCCCCC1CCSS1

InChI

InChI=1S/C12H22N2O3S2/c1-17-11(15)5-8-14-12(16)13-7-3-2-4-10-6-9-18-19-10/h10H,2-9H2,1H3,(H2,13,14,16)