2-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]terephthalic acid CAS Name: 2-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]terephthalic acid Traditional Name: 2-[[2-[(2-cyanophenyl)thio]benzoyl]amino]terephthalic acid Formula: C22H14N2O5S MolecularWeight: 418.42196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H14N2O5S/c23-12-14-5-1-3-7-18(14)30-19-8-4-2-6-16(19)20(25)24-17-11-13(21(26)27)9-10-15(17)22(28)29/h1-11H,(H,24,25)(H,26,27)(H,28,29)