[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C21H15NO7S MolecularWeight: 425.4113

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H15NO7S/c23-19(22-11-14-4-3-9-28-14)12-29-21(25)13-7-8-16-18(10-13)30(26,27)17-6-2-1-5-15(17)20(16)24/h1-10H,11-12H2,(H,22,23)