4-[[1-[(4-carboxyphenyl)amino]-2-dibenzothiophen-2-yl-2-oxidanylidene-ethyl]amino]benzoic acid

Systemtic Name: 4-[[1-[(4-carboxyphenyl)amino]-2-dibenzothiophen-2-yl-2-oxidanylidene-ethyl]amino]benzoic acid Openeye Name: 4-[[1-(4-carboxyanilino)-2-dibenzothiophen-2-yl-2-oxo-ethyl]amino]benzoic acid CAS Name: 4-[[1-(4-carboxyanilino)-2-(2-dibenzothiophenyl)-2-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[1-(4-carboxyanilino)-2-dibenzothiophen-2-yl-2-oxoethyl]amino]benzoic acid Traditional Name: 4-[[1-(4-carboxyanilino)-2-dibenzothiophen-2-yl-2-keto-ethyl]amino]benzoic acid Formula: C28H20N2O5S MolecularWeight: 496.5338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)C(NC4=CC=C(C=C4)C(=O)O)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)C(NC4=CC=C(C=C4)C(=O)O)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H20N2O5S/c31-25(18-9-14-24-22(15-18)21-3-1-2-4-23(21)36-24)26(29-19-10-5-16(6-11-19)27(32)33)30-20-12-7-17(8-13-20)28(34)35/h1-15,26,29-30H,(H,32,33)(H,34,35)