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

Systemtic Name: 2-[[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[3-cyano-4-(4-fluorophenyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[3-cyano-4-(4-fluorophenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[3-cyano-4-(4-fluorophenyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid Formula: C19H17FN2O3S MolecularWeight: 372.413283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C#N)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C#N)C(=O)O

InChI

InChI=1S/C19H17FN2O3S/c20-12-7-5-11(6-8-12)16-10-26-18(15(16)9-21)22-17(23)13-3-1-2-4-14(13)19(24)25/h5-8,10,13-14H,1-4H2,(H,22,23)(H,24,25)