[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 5-[(3S)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3S)-3-dithiolanyl]pentanoic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-[(3S)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3S)-dithiolan-3-yl]valeric acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl] ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

C1CSS[C@H]1CCCCC(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C18H22N2O4S2/c21-16-11-20(15-7-3-2-6-14(15)19-16)17(22)12-24-18(23)8-4-1-5-13-9-10-25-26-13/h2-3,6-7,13H,1,4-5,8-12H2,(H,19,21)/t13-/m0/s1