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

Systemtic Name: 4-[[3,4-bis[bis(fluoranyl)methoxy]phenyl]-(1,3-thiazol-5-ylmethyl)amino]benzoic acid Openeye Name: 4-[3,4-bis(difluoromethoxy)-N-(thiazol-5-ylmethyl)anilino]benzoic acid CAS Name: 4-[3,4-bis(difluoromethoxy)-N-(5-thiazolylmethyl)anilino]benzoic acid IUPAC Name: 4-[3,4-bis(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)anilino]benzoic acid Traditional Name: 4-[3,4-bis(difluoromethoxy)-N-(thiazol-5-ylmethyl)anilino]benzoic acid Formula: C19H14F4N2O4S MolecularWeight: 442.384073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N(CC2=CN=CS2)C3=CC(=C(C=C3)OC(F)F)OC(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N(CC2=CN=CS2)C3=CC(=C(C=C3)OC(F)F)OC(F)F

InChI

InChI=1S/C19H14F4N2O4S/c20-18(21)28-15-6-5-13(7-16(15)29-19(22)23)25(9-14-8-24-10-30-14)12-3-1-11(2-4-12)17(26)27/h1-8,10,18-19H,9H2,(H,26,27)