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

Systemtic Name: 4-[[1-[(4-carboxyphenyl)amino]-2-oxidanylidene-2-thiophen-2-yl-ethyl]amino]benzoic acid Openeye Name: 4-[[1-(4-carboxyanilino)-2-oxo-2-(2-thienyl)ethyl]amino]benzoic acid CAS Name: 4-[[1-(4-carboxyanilino)-2-oxo-2-thiophen-2-ylethyl]amino]benzoic acid IUPAC Name: 4-[[1-(4-carboxyanilino)-2-oxo-2-thiophen-2-ylethyl]amino]benzoic acid Traditional Name: 4-[[1-(4-carboxyanilino)-2-keto-2-(2-thienyl)ethyl]amino]benzoic acid Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C(NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C(=O)C(NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H16N2O5S/c23-17(16-2-1-11-28-16)18(21-14-7-3-12(4-8-14)19(24)25)22-15-9-5-13(6-10-15)20(26)27/h1-11,18,21-22H,(H,24,25)(H,26,27)