2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]ethyl 3,4-dimethoxybenzoate

Systemtic Name: 2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]ethyl 3,4-dimethoxybenzoate Openeye Name: 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]ethyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 2-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]ethyl ester IUPAC Name: 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]ethyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 2-[(9,10,10-triketothioxanthene-3-carbonyl)amino]ethyl ester Formula: C25H21NO8S MolecularWeight: 495.50114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)OC

InChI

InChI=1S/C25H21NO8S/c1-32-19-10-8-16(13-20(19)33-2)25(29)34-12-11-26-24(28)15-7-9-18-22(14-15)35(30,31)21-6-4-3-5-17(21)23(18)27/h3-10,13-14H,11-12H2,1-2H3,(H,26,28)