1-[2-[(2-fluoranyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[2-[(2-fluoranyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[2-(2-fluoro-4-thiocyanato-anilino)-2-oxo-ethyl]cyclopentanecarboxylic acid CAS Name: 1-[2-(2-fluoro-4-thiocyanatoanilino)-2-oxoethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[2-(2-fluoro-4-thiocyanatoanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[2-(2-fluoro-4-thiocyanato-anilino)-2-keto-ethyl]cyclopentanecarboxylic acid Formula: C15H15FN2O3S MolecularWeight: 322.354603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC(=O)NC2=C(C=C(C=C2)SC#N)F)C(=O)O

Isomeric SMILES

C1CCC(C1)(CC(=O)NC2=C(C=C(C=C2)SC#N)F)C(=O)O

InChI

InChI=1S/C15H15FN2O3S/c16-11-7-10(22-9-17)3-4-12(11)18-13(19)8-15(14(20)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,18,19)(H,20,21)