3-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 3-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 3-[[5-cyano-4-(2-fluorophenyl)thiazol-2-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 3-[[[5-cyano-4-(2-fluorophenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 3-[[5-cyano-4-(2-fluorophenyl)thiazol-2-yl]carbamoyl]cyclohexanecarboxylic acid Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(=O)O)C(=O)NC2=NC(=C(S2)C#N)C3=CC=CC=C3F

Isomeric SMILES

C1CC(CC(C1)C(=O)O)C(=O)NC2=NC(=C(S2)C#N)C3=CC=CC=C3F

InChI

InChI=1S/C18H16FN3O3S/c19-13-7-2-1-6-12(13)15-14(9-20)26-18(21-15)22-16(23)10-4-3-5-11(8-10)17(24)25/h1-2,6-7,10-11H,3-5,8H2,(H,24,25)(H,21,22,23)