5-chloranyl-2-[2-[2-oxidanylidene-2-[(3-thiophen-2-ylphenyl)methylamino]ethoxy]ethanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-[2-oxidanylidene-2-[(3-thiophen-2-ylphenyl)methylamino]ethoxy]ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[2-oxo-2-[[3-(2-thienyl)phenyl]methylamino]ethoxy]acetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[1-oxo-2-[2-oxo-2-[(3-thiophen-2-ylphenyl)methylamino]ethoxy]ethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[2-oxo-2-[(3-thiophen-2-ylphenyl)methylamino]ethoxy]acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[2-keto-2-[[3-(2-thienyl)benzyl]amino]ethoxy]acetyl]amino]benzoic acid Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)COCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O)C3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)COCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C22H19ClN2O5S/c23-16-6-7-18(17(10-16)22(28)29)25-21(27)13-30-12-20(26)24-11-14-3-1-4-15(9-14)19-5-2-8-31-19/h1-10H,11-13H2,(H,24,26)(H,25,27)(H,28,29)