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

Systemtic Name: 4-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[5-cyano-4-(2-fluorophenyl)thiazol-2-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[[5-cyano-4-(2-fluorophenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[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(CCC1C(=O)NC2=NC(=C(S2)C#N)C3=CC=CC=C3F)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NC2=NC(=C(S2)C#N)C3=CC=CC=C3F)C(=O)O

InChI

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