4-[(3-fluoranyl-4-methoxy-phenyl)-(1,3-thiazol-5-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[(3-fluoranyl-4-methoxy-phenyl)-(1,3-thiazol-5-ylmethyl)amino]benzoic acid Openeye Name: 4-[3-fluoro-4-methoxy-N-(thiazol-5-ylmethyl)anilino]benzoic acid CAS Name: 4-[3-fluoro-4-methoxy-N-(5-thiazolylmethyl)anilino]benzoic acid IUPAC Name: 4-[3-fluoro-4-methoxy-N-(1,3-thiazol-5-ylmethyl)anilino]benzoic acid Traditional Name: 4-[3-fluoro-4-methoxy-N-(thiazol-5-ylmethyl)anilino]benzoic acid Formula: C18H15FN2O3S MolecularWeight: 358.386703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CN=CS2)C3=CC=C(C=C3)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CS2)C3=CC=C(C=C3)C(=O)O)F

InChI

InChI=1S/C18H15FN2O3S/c1-24-17-7-6-14(8-16(17)19)21(10-15-9-20-11-25-15)13-4-2-12(3-5-13)18(22)23/h2-9,11H,10H2,1H3,(H,22,23)