[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C22H14BrNO6S MolecularWeight: 500.31866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H14BrNO6S/c23-14-4-3-5-15(11-14)24-20(25)12-30-22(27)13-8-9-17-19(10-13)31(28,29)18-7-2-1-6-16(18)21(17)26/h1-11H,12H2,(H,24,25)