methyl 2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]acetate CAS Name: 2-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]acetate Traditional Name: 2-[(9,10,10-triketothioxanthene-3-carbonyl)amino]acetic acid methyl ester Formula: C17H13NO6S MolecularWeight: 359.35322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO6S/c1-24-15(19)9-18-17(21)10-6-7-12-14(8-10)25(22,23)13-5-3-2-4-11(13)16(12)20/h2-8H,9H2,1H3,(H,18,21)