[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H22N2O5S2 MolecularWeight: 386.48628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCC(=O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

C1CSS[C@H]1CCCCC(=O)OCC(=O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C16H22N2O5S2/c19-14(18-16(21)17-10-12-4-3-8-22-12)11-23-15(20)6-2-1-5-13-7-9-24-25-13/h3-4,8,13H,1-2,5-7,9-11H2,(H2,17,18,19,21)/t13-/m0/s1