methyl 2-[3-oxidanylidene-1-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-(9,10,10-trioxothioxanthene-3-carbonyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-(9,10,10-trioxothioxanthene-3-carbonyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(9,10,10-triketothioxanthene-3-carbonyl)piperazin-2-yl]acetic acid methyl ester Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H18N2O7S/c1-30-18(24)11-15-20(26)22-8-9-23(15)21(27)12-6-7-14-17(10-12)31(28,29)16-5-3-2-4-13(16)19(14)25/h2-7,10,15H,8-9,11H2,1H3,(H,22,26)