4-[[4-azanyl-5-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-azanyl-5-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[4-amino-5-(2-chloro-6-fluoro-benzoyl)thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[4-amino-5-[(2-chloro-6-fluorophenyl)-oxomethyl]-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[4-amino-5-(2-chloro-6-fluorobenzoyl)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[4-amino-5-(2-chloro-6-fluoro-benzoyl)thiazol-2-yl]amino]benzoic acid Formula: C17H11ClFN3O3S MolecularWeight: 391.803943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)C(=O)O)N)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)C(=O)O)N)F

InChI

InChI=1S/C17H11ClFN3O3S/c18-10-2-1-3-11(19)12(10)13(23)14-15(20)22-17(26-14)21-9-6-4-8(5-7-9)16(24)25/h1-7H,20H2,(H,21,22)(H,24,25)