2-[1-[2-[(2-fluoranyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[2-[(2-fluoranyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[2-(2-fluoro-4-thiocyanato-anilino)-2-oxo-ethyl]cyclohexyl]acetic acid CAS Name: 2-[1-[2-(2-fluoro-4-thiocyanatoanilino)-2-oxoethyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[2-(2-fluoro-4-thiocyanatoanilino)-2-oxoethyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[2-(2-fluoro-4-thiocyanato-anilino)-2-keto-ethyl]cyclohexyl]acetic acid Formula: C17H19FN2O3S MolecularWeight: 350.407763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NC2=C(C=C(C=C2)SC#N)F)CC(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NC2=C(C=C(C=C2)SC#N)F)CC(=O)O

InChI

InChI=1S/C17H19FN2O3S/c18-13-8-12(24-11-19)4-5-14(13)20-15(21)9-17(10-16(22)23)6-2-1-3-7-17/h4-5,8H,1-3,6-7,9-10H2,(H,20,21)(H,22,23)