1-[2-oxidanylidene-2-[(4-thiocyanatophenyl)amino]ethyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[(4-thiocyanatophenyl)amino]ethyl]cyclopentane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]cyclopentanecarboxylic acid CAS Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]cyclopentane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(4-thiocyanatoanilino)ethyl]cyclopentanecarboxylic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S/c16-10-21-12-5-3-11(4-6-12)17-13(18)9-15(14(19)20)7-1-2-8-15/h3-6H,1-2,7-9H2,(H,17,18)(H,19,20)