2-chloranyl-5-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid Formula: C23H16ClN3O4S MolecularWeight: 465.90884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H16ClN3O4S/c24-18-11-10-14(12-17(18)22(30)31)25-20(28)13-32-23-26-19-9-5-4-8-16(19)21(29)27(23)15-6-2-1-3-7-15/h1-12H,13H2,(H,25,28)(H,30,31)