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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H15NO6S2 MolecularWeight: 441.4769

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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=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H15NO6S2/c23-19(22-11-14-4-3-9-29-14)12-28-21(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)