[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 5-[(3R)-1,2-dithiolan-3-yl]pentanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 5-[(3R)-1,2-dithiolan-3-yl]pentanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 5-[(3R)-dithiolan-3-yl]pentanoate CAS Name: 5-[(3R)-3-dithiolanyl]pentanoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 5-[(3R)-dithiolan-3-yl]pentanoate Traditional Name: 5-[(3R)-dithiolan-3-yl]valeric acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

C1CSS[C@@H]1CCCCC(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H21NO5S2/c20-15(12-5-6-16-14(9-12)19-17(21)11-23-16)10-24-18(22)4-2-1-3-13-7-8-25-26-13/h5-6,9,13H,1-4,7-8,10-11H2,(H,19,21)/t13-/m1/s1