(3S,4S)-1,6-diethoxy-4-ethoxycarbonyl-2-(2-ethoxy-2-oxidanylidene-ethanoyl)-5,6-bis(oxidanylidene)-3-pyridin-4-yl-hex-1-en-1-olate

Systemtic Name: (3S,4S)-1,6-diethoxy-4-ethoxycarbonyl-2-(2-ethoxy-2-oxidanylidene-ethanoyl)-5,6-bis(oxidanylidene)-3-pyridin-4-yl-hex-1-en-1-olate Openeye Name: (3S,4S)-1,6-diethoxy-4-ethoxycarbonyl-2-(2-ethoxy-2-oxo-acetyl)-5,6-dioxo-3-(4-pyridyl)hex-1-en-1-olate CAS Name: (3S,4S)-1,6-diethoxy-4-ethoxycarbonyl-2-(2-ethoxy-1,2-dioxoethyl)-5,6-dioxo-3-pyridin-4-yl-1-hexen-1-olate IUPAC Name: (3S,4S)-1,6-diethoxy-4-ethoxycarbonyl-2-(2-ethoxy-2-oxoacetyl)-5,6-dioxo-3-pyridin-4-ylhex-1-en-1-olate Traditional Name: (3S,4S)-4-carbethoxy-2-ethoxalyl-1,6-diethoxy-5,6-diketo-3-(4-pyridyl)hex-1-en-1-olate Formula: C22H26NO10- MolecularWeight: 464.44254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=NC=C1)C(=C([O-])OCC)C(=O)C(=O)OCC)C(=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H](C1=CC=NC=C1)C(=C([O-])OCC)C(=O)C(=O)OCC)C(=O)C(=O)OCC

InChI

InChI=1S/C22H27NO10/c1-5-30-19(26)15(17(24)21(28)32-7-3)14(13-9-11-23-12-10-13)16(20(27)31-6-2)18(25)22(29)33-8-4/h9-12,14-15,27H,5-8H2,1-4H3/p-1/t14-,15+/m1/s1