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

Systemtic Name: methyl 3-methyl-2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]butanoate Openeye Name: methyl 3-methyl-2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]butanoate CAS Name: 3-methyl-2-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]butanoate Traditional Name: 3-methyl-2-[(9,10,10-triketothioxanthene-3-carbonyl)amino]butyric acid methyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H19NO6S/c1-11(2)17(20(24)27-3)21-19(23)12-8-9-14-16(10-12)28(25,26)15-7-5-4-6-13(15)18(14)22/h4-11,17H,1-3H3,(H,21,23)