2-[4-(1,2-benzothiazol-3-ylcarbonylamino)-5-chloranyl-2-fluoranyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-(1,2-benzothiazol-3-ylcarbonylamino)-5-chloranyl-2-fluoranyl-phenyl]ethanoic acid Openeye Name: 2-[4-(1,2-benzothiazole-3-carbonylamino)-5-chloro-2-fluoro-phenyl]acetic acid CAS Name: 2-[4-[[1,2-benzothiazol-3-yl(oxo)methyl]amino]-5-chloro-2-fluorophenyl]acetic acid IUPAC Name: 2-[4-(1,2-benzothiazole-3-carbonylamino)-5-chloro-2-fluorophenyl]acetic acid Traditional Name: 2-[4-(1,2-benzothiazole-3-carbonylamino)-5-chloro-2-fluoro-phenyl]acetic acid Formula: C16H10ClFN2O3S MolecularWeight: 364.778603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2)C(=O)NC3=C(C=C(C(=C3)F)CC(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2)C(=O)NC3=C(C=C(C(=C3)F)CC(=O)O)Cl

InChI

InChI=1S/C16H10ClFN2O3S/c17-10-5-8(6-14(21)22)11(18)7-12(10)19-16(23)15-9-3-1-2-4-13(9)24-20-15/h1-5,7H,6H2,(H,19,23)(H,21,22)