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

Systemtic Name: 5-chloranyl-2-[2-[2-oxidanylidene-2-[(3-thiophen-3-ylphenyl)methylamino]ethoxy]ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[2-oxo-2-[[3-(3-thienyl)phenyl]methylamino]ethoxy]acetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[1-oxo-2-[2-oxo-2-[[3-(3-thiophenyl)phenyl]methylamino]ethoxy]ethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[2-oxo-2-[(3-thiophen-3-ylphenyl)methylamino]ethoxy]acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[2-keto-2-[[3-(3-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=CSC=C3

Isomeric SMILES

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

InChI

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