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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-oxo-2-(propylamino)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-keto-2-(propylamino)ethyl] ester Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCCNC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C19H17NO6S/c1-2-9-20-17(21)11-26-19(23)12-7-8-14-16(10-12)27(24,25)15-6-4-3-5-13(15)18(14)22/h3-8,10H,2,9,11H2,1H3,(H,20,21)