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

Systemtic Name: 5-chloranyl-2-[2-[2-oxidanylidene-2-[(3-thiophen-3-ylphenyl)amino]ethoxy]ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[2-oxo-2-[3-(3-thienyl)anilino]ethoxy]acetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[1-oxo-2-[2-oxo-2-[3-(3-thiophenyl)anilino]ethoxy]ethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[2-oxo-2-(3-thiophen-3-ylanilino)ethoxy]acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[2-keto-2-[3-(3-thienyl)anilino]ethoxy]acetyl]amino]benzoic acid Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O5S/c22-15-4-5-18(17(9-15)21(27)28)24-20(26)11-29-10-19(25)23-16-3-1-2-13(8-16)14-6-7-30-12-14/h1-9,12H,10-11H2,(H,23,25)(H,24,26)(H,27,28)