2-[(2,4-dichlorophenyl)carbonylamino]-5-(2-pyridin-2-ylsulfanylethoxy)benzoic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonylamino]-5-(2-pyridin-2-ylsulfanylethoxy)benzoic acid Openeye Name: 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-pyridylsulfanyl)ethoxy]benzoic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-5-[2-(2-pyridinylthio)ethoxy]benzoic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)amino]-5-(2-pyridin-2-ylsulfanylethoxy)benzoic acid Traditional Name: 2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-pyridylthio)ethoxy]benzoic acid Formula: C21H16Cl2N2O4S MolecularWeight: 463.33374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCCOC2=CC(=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SCCOC2=CC(=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H16Cl2N2O4S/c22-13-4-6-15(17(23)11-13)20(26)25-18-7-5-14(12-16(18)21(27)28)29-9-10-30-19-3-1-2-8-24-19/h1-8,11-12H,9-10H2,(H,25,26)(H,27,28)