(2-azanyl-2-oxidanylidene-ethyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C16H11NO6S MolecularWeight: 345.32664

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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)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)N

InChI

InChI=1S/C16H11NO6S/c17-14(18)8-23-16(20)9-5-6-11-13(7-9)24(21,22)12-4-2-1-3-10(12)15(11)19/h1-7H,8H2,(H2,17,18)