2-[[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[(4-fluoro-1-naphthyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-[(4-fluoro-1-naphthalenyl)methylthio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[(4-fluoro-1-naphthyl)methylthio]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C26H17FN2O3S2 MolecularWeight: 488.553183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2F)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2F)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C26H17FN2O3S2/c27-21-11-9-15(17-5-1-2-6-18(17)21)14-33-26-29-22-12-10-16(13-23(22)34-26)28-24(30)19-7-3-4-8-20(19)25(31)32/h1-13H,14H2,(H,28,30)(H,31,32)