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

Systemtic Name: 2-[[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[[2-[(4-fluorophenyl)methylthio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[2-[(4-fluorobenzyl)thio]-1,3-benzothiazol-6-yl]carbamoyl]-6-nitro-benzoic acid Formula: C22H14FN3O5S2 MolecularWeight: 483.492063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H14FN3O5S2/c23-13-6-4-12(5-7-13)11-32-22-25-16-9-8-14(10-18(16)33-22)24-20(27)15-2-1-3-17(26(30)31)19(15)21(28)29/h1-10H,11H2,(H,24,27)(H,28,29)