3,5-bis(chloranyl)-2-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[[2-[2-(2-thienyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 3,5-dichloro-2-[[1-oxo-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 3,5-dichloro-2-[[2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetyl]amino]benzoic acid Formula: C21H13Cl2N3O3S2 MolecularWeight: 490.38222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCC(=O)NC4=C(C=C(C=C4C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CS3)SCC(=O)NC4=C(C=C(C=C4C(=O)O)Cl)Cl

InChI

InChI=1S/C21H13Cl2N3O3S2/c22-11-8-13(21(28)29)18(14(23)9-11)25-17(27)10-31-20-12-4-1-2-5-15(12)24-19(26-20)16-6-3-7-30-16/h1-9H,10H2,(H,25,27)(H,28,29)