methyl (3S)-3-phenyl-3-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]propanoate

Systemtic Name: methyl (3S)-3-phenyl-3-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]propanoate Openeye Name: methyl (3S)-3-phenyl-3-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]propanoate CAS Name: (3S)-3-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-phenyl-3-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]propanoate Traditional Name: (3S)-3-phenyl-3-[(9,10,10-triketothioxanthene-3-carbonyl)amino]propionic acid methyl ester Formula: C24H19NO6S MolecularWeight: 449.47576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C24H19NO6S/c1-31-22(26)14-19(15-7-3-2-4-8-15)25-24(28)16-11-12-18-21(13-16)32(29,30)20-10-6-5-9-17(20)23(18)27/h2-13,19H,14H2,1H3,(H,25,28)/t19-/m0/s1