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

Systemtic Name: 2-[[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[2-[(3-fluorophenyl)methylthio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[2-[(3-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[2-[(3-fluorobenzyl)thio]-1,3-benzothiazol-6-yl]carbamoyl]cyclohexanecarboxylic acid Formula: C22H21FN2O3S2 MolecularWeight: 444.542143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC(=CC=C4)F)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC(=CC=C4)F)C(=O)O

InChI

InChI=1S/C22H21FN2O3S2/c23-14-5-3-4-13(10-14)12-29-22-25-18-9-8-15(11-19(18)30-22)24-20(26)16-6-1-2-7-17(16)21(27)28/h3-5,8-11,16-17H,1-2,6-7,12H2,(H,24,26)(H,27,28)