2-[[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-[(2-fluorophenyl)methylthio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[(2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[(2-fluorobenzyl)thio]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C22H15FN2O3S2 MolecularWeight: 438.494503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O)F

InChI

InChI=1S/C22H15FN2O3S2/c23-17-8-4-1-5-13(17)12-29-22-25-18-10-9-14(11-19(18)30-22)24-20(26)15-6-2-3-7-16(15)21(27)28/h1-11H,12H2,(H,24,26)(H,27,28)