(3-ethoxycarbonylfuran-2-yl)methyl 2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (3-ethoxycarbonylfuran-2-yl)methyl 2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (3-ethoxycarbonyl-2-furyl)methyl 2-[(3-ethoxycarbonyl-2-furyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3-ethoxycarbonyl-2-furanyl)methylthio]-3-pyridinecarboxylic acid (3-ethoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (3-ethoxycarbonylfuran-2-yl)methyl 2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3-carbethoxy-2-furyl)methylthio]nicotinic acid (3-carbethoxy-2-furyl)methyl ester Formula: C22H21NO8S MolecularWeight: 459.46904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)COC(=O)C2=C(N=CC=C2)SCC3=C(C=CO3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)COC(=O)C2=C(N=CC=C2)SCC3=C(C=CO3)C(=O)OCC

InChI

InChI=1S/C22H21NO8S/c1-3-27-20(24)14-7-10-29-17(14)12-31-22(26)16-6-5-9-23-19(16)32-13-18-15(8-11-30-18)21(25)28-4-2/h5-11H,3-4,12-13H2,1-2H3